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Home > Nitro Compounds > 1261956-13-1
1261956-13-1 | 2-(4-Ethylthiophenyl)-4-nitrobenzoic acid
CAS No: 1261956-13-1 Catalog No: AG00HO05 MDL No:
Product Description
Catalog Number:
AG00HO05
Chemical Name:
2-(4-Ethylthiophenyl)-4-nitrobenzoic acid
CAS Number:
1261956-13-1
IUPAC Name:
2-(4-ethylsulfanylphenyl)-4-nitrobenzoic acid
InChI:
InChI=1S/C15H13NO4S/c1-2-21-12-6-3-10(4-7-12)14-9-11(16(19)20)5-8-13(14)15(17)18/h3-9H,2H2,1H3,(H,17,18)
InChI Key:
KGEJABWSGMBIGP-UHFFFAOYSA-N
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.332g/mol
Monoisotopic Mass:
303.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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