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Home > Nitro Compounds > 869703-78-6
869703-78-6 | (2E)-3-(2-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS No: 869703-78-6 Catalog No: AG00JU4D MDL No:MFCD04506282
Product Description
Catalog Number:
AG00JU4D
Chemical Name:
(2E)-3-(2-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
869703-78-6
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD04506282
IUPAC Name:
3-(2-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO3/c1-12-5-2-3-6-13(12)9-10-16(18)14-7-4-8-15(11-14)17(19)20/h2-11H,1H3
InChI Key:
QSAZXKPKNZHLPJ-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])/C=C/c1ccccc1C
Properties
Complexity:
386
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:
3.9
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