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163798-87-6 | 1H-Benzimidazole-1-carboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester
CAS No: 163798-87-6 Catalog No: AG001UDS MDL No:MFCD10697638
Product Description
Catalog Number:
AG001UDS
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester
CAS Number:
163798-87-6
Molecular Formula:
C13H15ClN2O2
Molecular Weight:
266.7234
MDL Number:
MFCD10697638
IUPAC Name:
tert-butyl 2-(chloromethyl)benzimidazole-1-carboxylate
InChI:
InChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-10-7-5-4-6-9(10)15-11(16)8-14/h4-7H,8H2,1-3H3
InChI Key:
YNZUHDHIWWRGOR-UHFFFAOYSA-N
SMILES:
ClCc1nc2c(n1C(=O)OC(C)(C)C)cccc2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.725g/mol
Monoisotopic Mass:
266.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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