Name: Name:2-[4-(methylsulfanyl)-3-nitrobenzoyl]benzoic acid
Brand: Angene
SKU: AG019JG7
Rating: 90 (10 reviews)

2-[4-(methylsulfanyl)-3-nitrobenzoyl]benzoic acid

CAS No.:

747411-00-3

Catalog Number:

AG019JG7

Molecular Formula:

C15H11NO5S

Molecular Weight:

317.3165

Catalog Number:

AG019JG7

Chemical Name:

2-[4-(methylsulfanyl)-3-nitrobenzoyl]benzoic acid

CAS Number:

747411-00-3

Molecular Formula:

C15H11NO5S

Molecular Weight:

317.3165

MDL Number:

MFCD05270840

IUPAC Name:

2-(4-methylsulfanyl-3-nitrobenzoyl)benzoic acid

InChI:

InChI=1S/C15H11NO5S/c1-22-13-7-6-9(8-12(13)16(20)21)14(17)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,18,19)

InChI Key:

CHERYECRDOGVEN-UHFFFAOYSA-N

SMILES:

CSc1ccc(cc1[N+](=O)[O-])C(=O)c1ccccc1C(=O)O

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.315g/mol

Monoisotopic Mass:

317.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1