Name: Name:3-[(4-chlorophenyl)sulfanyl]-4-nitrobenzoic acid
Brand: Angene
SKU: AG01ACL3
Rating: 90 (10 reviews)

3-[(4-chlorophenyl)sulfanyl]-4-nitrobenzoic acid

CAS No.:

1553287-24-3

Catalog Number:

AG01ACL3

Molecular Formula:

C13H8ClNO4S

Molecular Weight:

309.7249

Catalog Number:

AG01ACL3

Chemical Name:

3-[(4-chlorophenyl)sulfanyl]-4-nitrobenzoic acid

CAS Number:

1553287-24-3

Molecular Formula:

C13H8ClNO4S

Molecular Weight:

309.7249

MDL Number:

MFCD22483356

IUPAC Name:

3-(4-chlorophenyl)sulfanyl-4-nitrobenzoic acid

InChI:

InChI=1S/C13H8ClNO4S/c14-9-2-4-10(5-3-9)20-12-7-8(13(16)17)1-6-11(12)15(18)19/h1-7H,(H,16,17)

InChI Key:

ZMCLVNODVNQGAA-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)Sc1cc(ccc1[N+](=O)[O-])C(=O)O

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.72g/mol

Monoisotopic Mass:

308.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5