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Home > Nitro Compounds > 1100793-44-9
1100793-44-9 | (2E)-3-(2-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No: 1100793-44-9 Catalog No: AG00JU1O MDL No:MFCD04511756
Product Description
Catalog Number:
AG00JU1O
Chemical Name:
(2E)-3-(2-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
1100793-44-9
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD04511756
IUPAC Name:
3-(2-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO3/c1-12-4-2-3-5-13(12)8-11-16(18)14-6-9-15(10-7-14)17(19)20/h2-11H,1H3
InChI Key:
YRKQXIQAZKLKLD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1C
Properties
Complexity:
378
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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