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Home > Nitro Compounds > 198283-14-6
198283-14-6 | (2E)-1-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS No: 198283-14-6 Catalog No: AG00JUCQ MDL No:MFCD00024572
Product Description
Catalog Number:
AG00JUCQ
Chemical Name:
(2E)-1-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
198283-14-6
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD00024572
IUPAC Name:
(E)-1-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO3/c1-12-6-8-16(13(2)10-12)17(19)9-7-14-4-3-5-15(11-14)18(20)21/h3-11H,1-2H3/b9-7+
InChI Key:
JRMZXICDERFSPK-VQHVLOKHSA-N
SMILES:
Cc1ccc(c(c1)C)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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