Name: Name:1H-Benzimidazole-1-carboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG0011B5
Rating: 90 (10 reviews)

1H-Benzimidazole-1-carboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester

CAS No.:

132873-77-9

Catalog Number:

AG0011B5

Molecular Formula:

C13H15BrN2O2

Molecular Weight:

311.1744

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

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.179g/mol

Monoisotopic Mass:

310.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3