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132873-77-9 | 1H-Benzimidazole-1-carboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester
CAS No: 132873-77-9 Catalog No: AG0011B5 MDL No:MFCD13182538
Product Description
Catalog Number:
AG0011B5
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester
CAS Number:
132873-77-9
Molecular Formula:
C13H15BrN2O2
Molecular Weight:
311.1744
MDL Number:
MFCD13182538
IUPAC Name:
tert-butyl 4-(bromomethyl)benzimidazole-1-carboxylate
InChI:
InChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-8-15-11-9(7-14)5-4-6-10(11)16/h4-6,8H,7H2,1-3H3
InChI Key:
RJQPRKXEVWZMAO-UHFFFAOYSA-N
SMILES:
BrCc1cccc2c1ncn2C(=O)OC(C)(C)C
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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