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Home > Nitro Compounds > 83188-06-1
83188-06-1 | 1-Pentanone, 4-nitro-1,2-diphenyl-
CAS No: 83188-06-1 Catalog No: AG004VOK MDL No:
Product Description
Catalog Number:
AG004VOK
Chemical Name:
1-Pentanone, 4-nitro-1,2-diphenyl-
CAS Number:
83188-06-1
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
4-nitro-1,2-diphenylpentan-1-one
InChI:
InChI=1S/C17H17NO3/c1-13(18(20)21)12-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3
InChI Key:
GOVBGLPLFYXYRZ-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])CC(C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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