Chem 2 Chloro 6 Bromoquinoline 3 Carboxaldehyde Ncc

Compound 121
  CheckMol                        TMF02:r0:m0
MF=C10H5BrClNO MW=270.51
 14 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3048   -0.7406   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6096    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3165   -2.2217   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9144   -0.7170   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6213   -2.9622   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9261   -2.1982   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2192    0.0470   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2309   -2.9387   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5239   -0.6935   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5357   -2.1746   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8287    0.0705   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8405   -2.9034   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.1335   -0.6700   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 01  0  2  0  0
  5  8 02  0  1  0  0
  7  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
  6  7 01  0  1  0  0
 10 11 02  0  1  0  0
M  END

2-Chloro-6-bromoquinoline-3-carboxaldehyde

₹ 0.00 0.00

Chemical Name - 2-Chloro-6-bromoquinoline-3-carboxaldehyde
Mol Weight - 270.513
Smiles - O=Cc(cc(cc(cc1)Br)c1n1)c1Cl
InChI - DCZCMZVZWKXJAF-UHFFFAOYSA-N
InChIKey - InChI=1S/C10H5BrClNO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H

Property Name	Property Value
Mol Name	2-Chloro-6-bromoquinoline-3-carboxaldehyde
Molweight	270.513
Monoisotopic Mass	268.924302
Clogp	3.3375
Clogs	-3.979
H Acceptors	2
Total Surface Area	160.21
Relative Psa	0.14987
Polar Surface Area	29.96
Druglikeness	-5.5139
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.18332
Molecular Complexity	0.74499
Fragments	1
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Aromatic Nitrogens	1
Smiles	O=Cc(cc(cc(cc1)Br)c1n1)c1Cl
InChIKey	InChI=1S/C10H5BrClNO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H
InChI	DCZCMZVZWKXJAF-UHFFFAOYSA-N

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1 - 2-Chloro-6-bromoquinoline-3-carboxaldehyde
2 - 2-Chloro-6-bromoquinoline-3-carboxaldehyde

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2-Chloro-6-bromoquinoline-3-carboxaldehyde