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Home > Nitro Compounds > 88681-11-2
88681-11-2 | 2-Propen-1-one, 3-(4-nitrophenyl)-1-[4-(phenylmethyl)phenyl]-
CAS No: 88681-11-2 Catalog No: AG00479L MDL No:
Product Description
Catalog Number:
AG00479L
Chemical Name:
2-Propen-1-one, 3-(4-nitrophenyl)-1-[4-(phenylmethyl)phenyl]-
CAS Number:
88681-11-2
Molecular Formula:
C22H17NO3
Molecular Weight:
343.3753
IUPAC Name:
1-(4-benzylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C22H17NO3/c24-22(15-10-17-8-13-21(14-9-17)23(25)26)20-11-6-19(7-12-20)16-18-4-2-1-3-5-18/h1-15H,16H2
InChI Key:
NLIDPROCFORMRR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cc1ccccc1)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.382g/mol
Monoisotopic Mass:
343.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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