Name: Name:2-[(3-bromophenyl)methyl]-4-methanesulfonylbutanoic acid
Brand: Angene
SKU: AG01AKJX
Rating: 90 (10 reviews)

2-[(3-bromophenyl)methyl]-4-methanesulfonylbutanoic acid

CAS No.:

1183099-58-2

Catalog Number:

AG01AKJX

Molecular Formula:

C12H15BrO4S

Molecular Weight:

335.2141

Catalog Number:

AG01AKJX

Chemical Name:

2-[(3-bromophenyl)methyl]-4-methanesulfonylbutanoic acid

CAS Number:

1183099-58-2

Molecular Formula:

C12H15BrO4S

Molecular Weight:

335.2141

MDL Number:

MFCD12864676

IUPAC Name:

2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanoic acid

InChI:

InChI=1S/C12H15BrO4S/c1-18(16,17)6-5-10(12(14)15)7-9-3-2-4-11(13)8-9/h2-4,8,10H,5-7H2,1H3,(H,14,15)

InChI Key:

CXRVEXOLFFBOKC-UHFFFAOYSA-N

SMILES:

OC(=O)C(Cc1cccc(c1)Br)CCS(=O)(=O)C

Complexity:

374

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.987g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.212g/mol

Monoisotopic Mass:

333.987g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1