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240800-54-8 | 3-Fluoro-5-(trifluoromethyl)cinnamic acid
CAS No: 240800-54-8 Catalog No: AG01FO4B MDL No:
Product Description
Catalog Number:
AG01FO4B
Chemical Name:
3-Fluoro-5-(trifluoromethyl)cinnamic acid
CAS Number:
240800-54-8
IUPAC Name:
(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H6F4O2/c11-8-4-6(1-2-9(15)16)3-7(5-8)10(12,13)14/h1-5H,(H,15,16)/b2-1+
InChI Key:
BALLIUNVQMPIFI-OWOJBTEDSA-N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
234.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.15g/mol
Monoisotopic Mass:
234.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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