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Home > Nitro Compounds > 1023491-76-0
1023491-76-0 | N-(3-methyl-4-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CAS No: 1023491-76-0 Catalog No: AG00IT63 MDL No:MFCD03839609
Product Description
Catalog Number:
AG00IT63
Chemical Name:
N-(3-methyl-4-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CAS Number:
1023491-76-0
Molecular Formula:
C19H20N2O3
Molecular Weight:
324.3737
MDL Number:
MFCD03839609
IUPAC Name:
N-(3-methyl-4-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
InChI:
InChI=1S/C19H20N2O3/c1-14-13-16(9-10-17(14)21(23)24)20-18(22)19(11-5-6-12-19)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,20,22)
InChI Key:
CZHFKBKHPJXZJI-UHFFFAOYSA-N
SMILES:
O=C(C1(CCCC1)c1ccccc1)Nc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.38g/mol
Monoisotopic Mass:
324.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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