Chem Triiso Propyl Borate AlkaliMetal

Compound 264
  CheckMol                        TMF02:r0:m0
MF=C9H21BO3 MW=188.07
 13 12  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.7533   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3077    0.7533   -0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585    0.0284   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    2.5727   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219    2.2600   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6154    0.0284   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426    3.0133   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9230    0.7818   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381    2.3169   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0569    4.5200   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9372    2.2884   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2307    0.0569   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END

Triiso Propyl Borate

₹ 0.00 0.00

Chemical Name - Triiso Propyl Borate
Mol Weight - 188.074
Smiles - CC(C)OB(OC(C)C)OC(C)C

Property Name	Property Value
Mol Name	Triiso Propyl Borate
Molweight	188.074
Monoisotopic Mass	188.158375
Clogp	1.4541
Clogs	-0.503
H Acceptors	3
Total Surface Area	169.16
Relative Psa	0.17735
Polar Surface Area	27.69
Druglikeness	-22.909
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.53846
Molecular Flexibility	0.80984
Molecular Complexity	0.3662
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	3
Rotatable Bonds	6
Sp3 Atoms	12
Symmetric Atoms	9
Smiles	CC(C)OB(OC(C)C)OC(C)C
InChIKey	InChI=1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3
InChI	NHDIQVFFNDKAQU-UHFFFAOYSA-N

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Triiso Propyl Borate