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854813-63-1 | Propanamide, 3-(dimethylamino)-N-(4-nitrophenyl)-
CAS No: 854813-63-1 Catalog No: AG004N8H MDL No:
Product Description
Catalog Number:
AG004N8H
Chemical Name:
Propanamide, 3-(dimethylamino)-N-(4-nitrophenyl)-
CAS Number:
854813-63-1
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
IUPAC Name:
3-(dimethylamino)-N-(4-nitrophenyl)propanamide
InChI:
InChI=1S/C11H15N3O3/c1-13(2)8-7-11(15)12-9-3-5-10(6-4-9)14(16)17/h3-6H,7-8H2,1-2H3,(H,12,15)
InChI Key:
GJROBODIYOYWOY-UHFFFAOYSA-N
SMILES:
CN(CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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