200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1261966-66-8
1261966-66-8 | 2-(4-Methylthiophenyl)-4-nitrobenzoic acid
CAS No: 1261966-66-8 Catalog No: AG00HON3 MDL No:
Product Description
Catalog Number:
AG00HON3
Chemical Name:
2-(4-Methylthiophenyl)-4-nitrobenzoic acid
CAS Number:
1261966-66-8
IUPAC Name:
2-(4-methylsulfanylphenyl)-4-nitrobenzoic acid
InChI:
InChI=1S/C14H11NO4S/c1-20-11-5-2-9(3-6-11)13-8-10(15(18)19)4-7-12(13)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
CVWAQKUABALYKN-UHFFFAOYSA-N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.305g/mol
Monoisotopic Mass:
289.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.