Name: Name:2-{[(4-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Brand: Angene
SKU: AG019NDA
Rating: 90 (10 reviews)

2-{[(4-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid

CAS No.:

1016746-08-9

Catalog Number:

AG019NDA

Molecular Formula:

C13H10BrNO2S

Molecular Weight:

324.1930

Catalog Number:

AG019NDA

Chemical Name:

2-{[(4-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid

CAS Number:

1016746-08-9

Molecular Formula:

C13H10BrNO2S

Molecular Weight:

324.1930

MDL Number:

MFCD09813157

IUPAC Name:

2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid

InChI:

InChI=1S/C13H10BrNO2S/c14-10-5-3-9(4-6-10)8-18-12-11(13(16)17)2-1-7-15-12/h1-7H,8H2,(H,16,17)

InChI Key:

CXLHGQGBIGZCPK-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)CSc1ncccc1C(=O)O

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.962g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

324.192g/mol

Monoisotopic Mass:

322.962g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4