Name: Name:2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)propanoic acid
Brand: Angene
SKU: AG019N9X
Rating: 90 (10 reviews)

2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)propanoic acid

CAS No.:

1016786-75-6

Catalog Number:

AG019N9X

Molecular Formula:

C11H12BrNO3S

Molecular Weight:

318.1869

Catalog Number:

AG019N9X

Chemical Name:

2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)propanoic acid

CAS Number:

1016786-75-6

Molecular Formula:

C11H12BrNO3S

Molecular Weight:

318.1869

MDL Number:

MFCD09946366

IUPAC Name:

2-[2-(3-bromoanilino)-2-oxoethyl]sulfanylpropanoic acid

InChI:

InChI=1S/C11H12BrNO3S/c1-7(11(15)16)17-6-10(14)13-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)

InChI Key:

YIWANVDLGIQADD-UHFFFAOYSA-N

SMILES:

O=C(Nc1cccc(c1)Br)CSC(C(=O)O)C

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.972g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.185g/mol

Monoisotopic Mass:

316.972g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5