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Home > Nitro Compounds > 832132-79-3
832132-79-3 | 1-Propanone, 1-(3,5-dinitrophenyl)-3-phenyl-
CAS No: 832132-79-3 Catalog No: AG004Z40 MDL No:
Product Description
Catalog Number:
AG004Z40
Chemical Name:
1-Propanone, 1-(3,5-dinitrophenyl)-3-phenyl-
CAS Number:
832132-79-3
Molecular Formula:
C15H12N2O5
Molecular Weight:
300.2662
IUPAC Name:
1-(3,5-dinitrophenyl)-3-phenylpropan-1-one
InChI:
InChI=1S/C15H12N2O5/c18-15(7-6-11-4-2-1-3-5-11)12-8-13(16(19)20)10-14(9-12)17(21)22/h1-5,8-10H,6-7H2
InChI Key:
QXUREMCWEFQUTF-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CCc1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.27g/mol
Monoisotopic Mass:
300.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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