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Home > Nitro Compounds > 5345-29-9
5345-29-9 | 4-(4-nitrophenyl)-1-phenylbutan-1-one
CAS No: 5345-29-9 Catalog No: AG01A3Y1 MDL No:MFCD13719962
Product Description
Catalog Number:
AG01A3Y1
Chemical Name:
4-(4-nitrophenyl)-1-phenylbutan-1-one
CAS Number:
5345-29-9
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
MDL Number:
MFCD13719962
IUPAC Name:
4-(4-nitrophenyl)-1-phenylbutan-1-one
InChI:
InChI=1S/C16H15NO3/c18-16(14-6-2-1-3-7-14)8-4-5-13-9-11-15(12-10-13)17(19)20/h1-3,6-7,9-12H,4-5,8H2
InChI Key:
LPBSNCMCZNHWHU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCCc1ccc(cc1)[N+](=O)[O-]
NSC Number:
3021
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3.7
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