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Home > Nitro Compounds > 77670-36-1
77670-36-1 | 1-Butanone, 4-nitro-1,3-diphenyl-, (R)-
CAS No: 77670-36-1 Catalog No: AG005SIE MDL No:
Product Description
Catalog Number:
AG005SIE
Chemical Name:
1-Butanone, 4-nitro-1,3-diphenyl-, (R)-
CAS Number:
77670-36-1
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
(3R)-4-nitro-1,3-diphenylbutan-1-one
InChI:
InChI=1S/C16H15NO3/c18-16(14-9-5-2-6-10-14)11-15(12-17(19)20)13-7-3-1-4-8-13/h1-10,15H,11-12H2/t15-/m0/s1
InChI Key:
HSDQDDXGMUPFTK-HNNXBMFYSA-N
SMILES:
[O-][N+](=O)C[C@@H](c1ccccc1)CC(=O)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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