Name: Name:2-[(2-fluorophenyl)sulfanyl]-5-nitrobenzoic acid
Brand: Angene
SKU: AG019K3Z
Rating: 90 (10 reviews)

2-[(2-fluorophenyl)sulfanyl]-5-nitrobenzoic acid

CAS No.:

73129-13-2

Catalog Number:

AG019K3Z

Molecular Formula:

C13H8FNO4S

Molecular Weight:

293.2703

Catalog Number:

AG019K3Z

Chemical Name:

2-[(2-fluorophenyl)sulfanyl]-5-nitrobenzoic acid

CAS Number:

73129-13-2

Molecular Formula:

C13H8FNO4S

Molecular Weight:

293.2703

MDL Number:

MFCD08444372

IUPAC Name:

2-(2-fluorophenyl)sulfanyl-5-nitrobenzoic acid

InChI:

InChI=1S/C13H8FNO4S/c14-10-3-1-2-4-12(10)20-11-6-5-8(15(18)19)7-9(11)13(16)17/h1-7H,(H,16,17)

InChI Key:

WEEHNBNVAYPJQS-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1Sc1ccccc1F)[N+](=O)[O-]

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.268g/mol

Monoisotopic Mass:

293.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4