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Home > Nitro Compounds > 1261976-91-3
1261976-91-3 | 4-(4-Methylthiophenyl)-2-nitrobenzoic acid
CAS No: 1261976-91-3 Catalog No: AG00HPAI MDL No:
Product Description
Catalog Number:
AG00HPAI
Chemical Name:
4-(4-Methylthiophenyl)-2-nitrobenzoic acid
CAS Number:
1261976-91-3
IUPAC Name:
4-(4-methylsulfanylphenyl)-2-nitrobenzoic acid
InChI:
InChI=1S/C14H11NO4S/c1-20-11-5-2-9(3-6-11)10-4-7-12(14(16)17)13(8-10)15(18)19/h2-8H,1H3,(H,16,17)
InChI Key:
LKGFTBSKOLATEB-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
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