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Home > Nitro Compounds > 851651-95-1
851651-95-1 | 1-Pyrrolidinepropanamide, N-(4-nitrophenyl)-
CAS No: 851651-95-1 Catalog No: AG004MXH MDL No:
Product Description
Catalog Number:
AG004MXH
Chemical Name:
1-Pyrrolidinepropanamide, N-(4-nitrophenyl)-
CAS Number:
851651-95-1
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
N-(4-nitrophenyl)-3-pyrrolidin-1-ylpropanamide
InChI:
InChI=1S/C13H17N3O3/c17-13(7-10-15-8-1-2-9-15)14-11-3-5-12(6-4-11)16(18)19/h3-6H,1-2,7-10H2,(H,14,17)
InChI Key:
HLKVJYCVSYMPAZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])CCN1CCCC1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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