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85937-42-4 | 2-Butanone, 4-[(3-nitrophenyl)amino]-
CAS No: 85937-42-4 Catalog No: AG004WLG MDL No:
Product Description
Catalog Number:
AG004WLG
Chemical Name:
2-Butanone, 4-[(3-nitrophenyl)amino]-
CAS Number:
85937-42-4
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
4-(3-nitroanilino)butan-2-one
InChI:
InChI=1S/C10H12N2O3/c1-8(13)5-6-11-9-3-2-4-10(7-9)12(14)15/h2-4,7,11H,5-6H2,1H3
InChI Key:
GOXCMUZUAJGHSM-UHFFFAOYSA-N
SMILES:
CC(=O)CCNc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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