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Home > Nitro Compounds > 102692-40-0
102692-40-0 | 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (2E)-
CAS No: 102692-40-0 Catalog No: AG00085J MDL No:MFCD00024800
Product Description
Catalog Number:
AG00085J
Chemical Name:
2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (2E)-
CAS Number:
102692-40-0
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD00024800
IUPAC Name:
1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO3/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(10-5-13)17(19)20/h2-11H,1H3
InChI Key:
VFNVMOXZNIOBKS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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