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Home > Nitro Compounds > 358657-05-3
358657-05-3 | (2E)-3-[4-(benzyloxy)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one
CAS No: 358657-05-3 Catalog No: AG00JU1K MDL No:MFCD01901504
Product Description
Catalog Number:
AG00JU1K
Chemical Name:
(2E)-3-[4-(benzyloxy)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
358657-05-3
Molecular Formula:
C22H17NO4
Molecular Weight:
359.3747
MDL Number:
MFCD01901504
IUPAC Name:
(E)-1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C22H17NO4/c24-22(19-9-11-20(12-10-19)23(25)26)15-8-17-6-13-21(14-7-17)27-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+
InChI Key:
FTDFYTKHBGAUKZ-OVCLIPMQSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)OCc1ccccc1
NSC Number:
321044
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
359.116g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.381g/mol
Monoisotopic Mass:
359.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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