Name: Name:1H-Benzimidazole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG0002MK
Rating: 90 (10 reviews)

1H-Benzimidazole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester

CAS No.:

1006899-77-9

Catalog Number:

AG0002MK

Molecular Formula:

C12H13BrN2O2

Molecular Weight:

297.1478

Catalog Number:

AG0002MK

Chemical Name:

1H-Benzimidazole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester

CAS Number:

1006899-77-9

Molecular Formula:

C12H13BrN2O2

Molecular Weight:

297.1478

MDL Number:

MFCD13182497

IUPAC Name:

tert-butyl 6-bromobenzimidazole-1-carboxylate

InChI:

InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-7-14-9-5-4-8(13)6-10(9)15/h4-7H,1-3H3

InChI Key:

XLOBARPKKQPYLI-UHFFFAOYSA-N

SMILES:

O=C(n1cnc2c1cc(Br)cc2)OC(C)(C)C

Complexity:

303

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.152g/mol

Monoisotopic Mass:

296.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4