200,000+ products from a single source!
sales@angenechem.com
302543-79-9 | [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, 2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl ester
CAS No: 302543-79-9 Catalog No: AG002ZDN MDL No:
Product Description
Catalog Number:
AG002ZDN
Chemical Name:
[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, 2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl ester
CAS Number:
302543-79-9
Molecular Formula:
C29H28FNO8
Molecular Weight:
537.5329
IUPAC Name:
[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-(3-fluoro-4-phenylphenyl)propanoate
InChI:
InChI=1S/C29H28FNO8/c1-20(23-12-13-24(25(30)19-23)22-8-4-3-5-9-22)29(33)39-26-14-10-21(18-27(26)36-2)11-15-28(32)37-16-6-7-17-38-31(34)35/h3-5,8-15,18-20H,6-7,16-17H2,1-2H3/b15-11+
InChI Key:
FWYIAKTZYYAZAJ-RVDMUPIBSA-N
SMILES:
COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C
Properties
Complexity:
812
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
537.18g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.54g/mol
Monoisotopic Mass:
537.18g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.