Chem 4 Nitrophenyl Chloroformate Pacific

Compound 123
  CheckMol                        TMF02:r0:m0
MF=C7H4ClNO4 MW=201.57
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092   -0.7313   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210   -2.2175   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6185    0.0236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9277   -0.7077   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2370    0.0590   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9395   -2.1939   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5462   -0.6723   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2488   -2.9252   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5580   -2.1585   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8673   -2.8898   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1765   -2.1349   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8791   -4.3759   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 10 01  0  1  0  0
M  CHG  1  11   1
M  CHG  1  13  -1
M  END

4 Nitrophenyl Chloroformate

₹ 0.00 0.00

Chemical Name - 4 Nitrophenyl Chloroformate
Mol Weight - 201.565
Smiles - [O-][N+](c(cc1)ccc1OC(Cl)=O)=O

Property Name	Property Value
Mol Name	4 Nitrophenyl Chloroformate
Molweight	201.565
Monoisotopic Mass	200.982886
Clogp	1.4155
Clogs	-3.21
H Acceptors	5
Total Surface Area	140.1
Relative Psa	0.38158
Polar Surface Area	72.12
Druglikeness	-18.578
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Shape Index	0.69231
Molecular Flexibility	0.52256
Molecular Complexity	0.58773
Fragments	1
Non H Atoms	13
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	[O-][N+](c(cc1)ccc1OC(Cl)=O)=O
InChIKey	InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H
InChI	NXLNNXIXOYSCMB-UHFFFAOYSA-N

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4 Nitrophenyl Chloroformate