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Home > Nitro Compounds > 119691-06-4
119691-06-4 | Benzamide, N-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]-4-nitro-, rel-
CAS No: 119691-06-4 Catalog No: AG000PGF MDL No:
Product Description
Catalog Number:
AG000PGF
Chemical Name:
Benzamide, N-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]-4-nitro-, rel-
CAS Number:
119691-06-4
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
IUPAC Name:
N-[(2S,3R)-2-hydroxynonan-3-yl]-4-nitrobenzamide
InChI:
InChI=1S/C16H24N2O4/c1-3-4-5-6-7-15(12(2)19)17-16(20)13-8-10-14(11-9-13)18(21)22/h8-12,15,19H,3-7H2,1-2H3,(H,17,20)/t12-,15+/m0/s1
InChI Key:
FYPCGBQHFCQEEE-SWLSCSKDSA-N
SMILES:
CCCCCC[C@H]([C@@H](O)C)NC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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