200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1373921-81-3
1373921-81-3 | 4-Fluoro-3-methyl-5-(trifluoromethyl)cinnamic acid
CAS No: 1373921-81-3 Catalog No: AG01F913 MDL No:
Product Description
Catalog Number:
AG01F913
Chemical Name:
4-Fluoro-3-methyl-5-(trifluoromethyl)cinnamic acid
CAS Number:
1373921-81-3
Molecular Formula:
C11H8F4O2
Molecular Weight:
248.1736
IUPAC Name:
3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C11H8F4O2/c1-6-4-7(2-3-9(16)17)5-8(10(6)12)11(13,14)15/h2-5H,1H3,(H,16,17)
InChI Key:
JWTWWSLPXHUYNI-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1cc(C)c(c(c1)C(F)(F)F)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.177g/mol
Monoisotopic Mass:
248.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.