200,000+ products from a single source!
sales@angenechem.com
80672-97-5 | Acetic acid,2-[2,3-dichloro-4-[3-oxo-3-(2-thienyl)-1-propen-1-yl]phenoxy]-
CAS No: 80672-97-5 Catalog No: AG005JZM MDL No:
Product Description
Catalog Number:
AG005JZM
Chemical Name:
Acetic acid,2-[2,3-dichloro-4-[3-oxo-3-(2-thienyl)-1-propen-1-yl]phenoxy]-
CAS Number:
80672-97-5
Molecular Formula:
C15H10Cl2O4S
Molecular Weight:
357.2085
IUPAC Name:
2-[2,3-dichloro-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenoxy]acetic acid
InChI:
InChI=1S/C15H10Cl2O4S/c16-14-9(3-5-10(18)12-2-1-7-22-12)4-6-11(15(14)17)21-8-13(19)20/h1-7H,8H2,(H,19,20)
InChI Key:
NEFNTKXPJAWGGJ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c(c1Cl)Cl)/C=C/C(=O)c1cccs1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.968g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.201g/mol
Monoisotopic Mass:
355.968g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.