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175531-13-2 | 1H-Benzimidazole-1-carboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester
CAS No: 175531-13-2 Catalog No: AG00211A MDL No:MFCD16653025
Product Description
Catalog Number:
AG00211A
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester
CAS Number:
175531-13-2
Molecular Formula:
C13H15BrN2O2
Molecular Weight:
311.1744
MDL Number:
MFCD16653025
IUPAC Name:
tert-butyl 2-(bromomethyl)benzimidazole-1-carboxylate
InChI:
InChI=1S/C13H15BrN2O2/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:
QQHSPDNLUDVJEI-UHFFFAOYSA-N
SMILES:
BrCc1nc2c(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:
310.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.179g/mol
Monoisotopic Mass:
310.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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