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893738-41-5 | 4-[1-(Trifluoromethyl)vinyl]benzoic acid
CAS No: 893738-41-5 Catalog No: AG01EYPG MDL No:
Product Description
Catalog Number:
AG01EYPG
Chemical Name:
4-[1-(Trifluoromethyl)vinyl]benzoic acid
CAS Number:
893738-41-5
Molecular Formula:
C10H7F3O2
Molecular Weight:
216.1566
IUPAC Name:
4-(3,3,3-trifluoroprop-1-en-2-yl)benzoic acid
InChI:
InChI=1S/C10H7F3O2/c1-6(10(11,12)13)7-2-4-8(5-3-7)9(14)15/h2-5H,1H2,(H,14,15)
InChI Key:
GNMSJQOZLJJTBH-UHFFFAOYSA-N
SMILES:
C=C(C(F)(F)F)c1ccc(cc1)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.159g/mol
Monoisotopic Mass:
216.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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