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123557-14-2 | Benzoic acid, 3-nitro-4-[(2-phenylethyl)amino]-
CAS No: 123557-14-2 Catalog No: AG000KSX MDL No:
Product Description
Catalog Number:
AG000KSX
Chemical Name:
Benzoic acid, 3-nitro-4-[(2-phenylethyl)amino]-
CAS Number:
123557-14-2
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
3-nitro-4-(2-phenylethylamino)benzoic acid
InChI:
InChI=1S/C15H14N2O4/c18-15(19)12-6-7-13(14(10-12)17(20)21)16-9-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19)
InChI Key:
ZNJZOJLDCSIRMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NCCc1ccccc1)C(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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