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Home > Nitro Compounds > 101401-80-3
101401-80-3 | Benzamide, 4-nitro-N-[(1S)-1-phenylethyl]-
CAS No: 101401-80-3 Catalog No: AG0004EM MDL No:
Product Description
Catalog Number:
AG0004EM
Chemical Name:
Benzamide, 4-nitro-N-[(1S)-1-phenylethyl]-
CAS Number:
101401-80-3
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
4-nitro-N-[(1S)-1-phenylethyl]benzamide
InChI:
InChI=1S/C15H14N2O3/c1-11(12-5-3-2-4-6-12)16-15(18)13-7-9-14(10-8-13)17(19)20/h2-11H,1H3,(H,16,18)/t11-/m0/s1
InChI Key:
OTZYXPKYOAAGEU-NSHDSACASA-N
SMILES:
C[C@@H](c1ccccc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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