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Home > Fluorides > 168833-80-5
168833-80-5 | 3-(TRIFLUOROMETHOXY)CINNAMIC ACID
CAS No: 168833-80-5 Catalog No: AG003BAG MDL No:MFCD00066337
Product Description
Catalog Number:
AG003BAG
Chemical Name:
3-(TRIFLUOROMETHOXY)CINNAMIC ACID
CAS Number:
168833-80-5
Molecular Formula:
C10H7F3O3
Molecular Weight:
232.1560
MDL Number:
MFCD00066337
IUPAC Name:
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChI Key:
CLKZZEYGXRWYNI-SNAWJCMRSA-N
SMILES:
OC(=O)C=Cc1cccc(c1)OC(F)(F)F
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
232.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.158g/mol
Monoisotopic Mass:
232.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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