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Home > Nitro Compounds > 1261933-16-7
1261933-16-7 | 4-(4-Ethylthiophenyl)-2-nitrobenzoic acid
CAS No: 1261933-16-7 Catalog No: AG00HMEP MDL No:
Product Description
Catalog Number:
AG00HMEP
Chemical Name:
4-(4-Ethylthiophenyl)-2-nitrobenzoic acid
CAS Number:
1261933-16-7
IUPAC Name:
4-(4-ethylsulfanylphenyl)-2-nitrobenzoic acid
InChI:
InChI=1S/C15H13NO4S/c1-2-21-12-6-3-10(4-7-12)11-5-8-13(15(17)18)14(9-11)16(19)20/h3-9H,2H2,1H3,(H,17,18)
InChI Key:
XTMBXZPYXVIHFM-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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