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116545-09-6 | Ethanone, 1-[4-(dimethylamino)phenyl]-2-nitro-
CAS No: 116545-09-6 Catalog No: AG000CQL MDL No:
Product Description
Catalog Number:
AG000CQL
Chemical Name:
Ethanone, 1-[4-(dimethylamino)phenyl]-2-nitro-
CAS Number:
116545-09-6
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
1-[4-(dimethylamino)phenyl]-2-nitroethanone
InChI:
InChI=1S/C10H12N2O3/c1-11(2)9-5-3-8(4-6-9)10(13)7-12(14)15/h3-6H,7H2,1-2H3
InChI Key:
SAWJZJOGWAQMFB-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C(=O)C[N+](=O)[O-])C
Properties
Complexity:
240
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:
0
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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