200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 909771-47-7
909771-47-7 | (2E)-3-[4-(benzyloxy)phenyl]-1-(3-nitrophenyl)prop-2-en-1-one
CAS No: 909771-47-7 Catalog No: AG00JU48 MDL No:MFCD04491998
Product Description
Catalog Number:
AG00JU48
Chemical Name:
(2E)-3-[4-(benzyloxy)phenyl]-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
909771-47-7
Molecular Formula:
C22H17NO4
Molecular Weight:
359.3747
MDL Number:
MFCD04491998
IUPAC Name:
1-(3-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C22H17NO4/c24-22(19-7-4-8-20(15-19)23(25)26)14-11-17-9-12-21(13-10-17)27-16-18-5-2-1-3-6-18/h1-15H,16H2
InChI Key:
SFBDKOZKTGOCMV-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])/C=C/c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.