Home Halogens 3-[(4-chlorophenyl)sulfanyl]-2-nitrobenzoic acid

3-[(4-chlorophenyl)sulfanyl]-2-nitrobenzoic acid

CAS No.:
1546589-07-4
Catalog Number:
AG01ACNQ
Molecular Formula:
C13H8ClNO4S
Molecular Weight:
309.7249
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Product Description
Catalog Number:
AG01ACNQ
Chemical Name:
3-[(4-chlorophenyl)sulfanyl]-2-nitrobenzoic acid
CAS Number:
1546589-07-4
Molecular Formula:
C13H8ClNO4S
Molecular Weight:
309.7249
MDL Number:
MFCD22483347
IUPAC Name:
3-(4-chlorophenyl)sulfanyl-2-nitrobenzoic acid
InChI:
InChI=1S/C13H8ClNO4S/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(13(16)17)12(11)15(18)19/h1-7H,(H,16,17)
InChI Key:
SMHSWJKAMYLBCR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1cccc(c1[N+](=O)[O-])C(=O)O
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.986g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.72g/mol
Monoisotopic Mass:
308.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties