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Home > Nitro Compounds > 1042167-64-5
1042167-64-5 | (2E)-1-{[1,1'-biphenyl]-4-yl}-3-(3-nitrophenyl)prop-2-en-1-one
CAS No: 1042167-64-5 Catalog No: AG00JUGK MDL No:MFCD00560481
Product Description
Catalog Number:
AG00JUGK
Chemical Name:
(2E)-1-{[1,1'-biphenyl]-4-yl}-3-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
1042167-64-5
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
MDL Number:
MFCD00560481
IUPAC Name:
3-(3-nitrophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C21H15NO3/c23-21(14-9-16-5-4-8-20(15-16)22(24)25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H
InChI Key:
KUDUGKHMTPCYCN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.355g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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