Name: Name:2-({[(3-bromophenyl)carbamoyl]methyl}sulfanyl)acetic acid
Brand: Angene
SKU: AG019X0W
Rating: 90 (10 reviews)

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

CAS No.:

914630-14-1

Catalog Number:

AG019X0W

Molecular Formula:

C10H10BrNO3S

Molecular Weight:

304.1603

Catalog Number:

AG019X0W

Chemical Name:

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

CAS Number:

914630-14-1

Molecular Formula:

C10H10BrNO3S

Molecular Weight:

304.1603

MDL Number:

MFCD06067459

IUPAC Name:

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

InChI:

InChI=1S/C10H10BrNO3S/c11-7-2-1-3-8(4-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

InChI Key:

QTVXJTMTMLWPBV-UHFFFAOYSA-N

SMILES:

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

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.956g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

304.158g/mol

Monoisotopic Mass:

302.956g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6