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Home > Nitro Compounds > 1261949-23-8
1261949-23-8 | 3-(4-Ethylthiophenyl)-5-nitrobenzoic acid
CAS No: 1261949-23-8 Catalog No: AG00HNIM MDL No:
Product Description
Catalog Number:
AG00HNIM
Chemical Name:
3-(4-Ethylthiophenyl)-5-nitrobenzoic acid
CAS Number:
1261949-23-8
IUPAC Name:
3-(4-ethylsulfanylphenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C15H13NO4S/c1-2-21-14-5-3-10(4-6-14)11-7-12(15(17)18)9-13(8-11)16(19)20/h3-9H,2H2,1H3,(H,17,18)
InChI Key:
KDMPKYMGIMRGHW-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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