Name: Name:Benzoic acid, 2-amino-5-bromo-4-(1-methylethyl)-, methyl ester
Brand: Angene
SKU: AG000097
Rating: 90 (10 reviews)

Benzoic acid, 2-amino-5-bromo-4-(1-methylethyl)-, methyl ester

CAS No.:

1000018-13-2

Catalog Number:

AG000097

Molecular Formula:

C11H14BrNO2

Molecular Weight:

272.1384

Catalog Number:

AG000097

Chemical Name:

Benzoic acid, 2-amino-5-bromo-4-(1-methylethyl)-, methyl ester

CAS Number:

1000018-13-2

Molecular Formula:

C11H14BrNO2

Molecular Weight:

272.1384

MDL Number:

MFCD09864815

IUPAC Name:

methyl 2-amino-5-bromo-4-propan-2-ylbenzoate

InChI:

InChI=1S/C11H14BrNO2/c1-6(2)7-5-10(13)8(4-9(7)12)11(14)15-3/h4-6H,13H2,1-3H3

InChI Key:

DXRFEGRLPOBRKX-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Br)c(cc1N)C(C)C

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.142g/mol

Monoisotopic Mass:

271.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5