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893738-55-1 | Methyl 3-[1-(trifluoromethyl)vinyl]benzoate
CAS No: 893738-55-1 Catalog No: AG01FB44 MDL No:
Product Description
Catalog Number:
AG01FB44
Chemical Name:
Methyl 3-[1-(trifluoromethyl)vinyl]benzoate
CAS Number:
893738-55-1
Molecular Formula:
C11H9F3O2
Molecular Weight:
230.1832
IUPAC Name:
methyl 3-(3,3,3-trifluoroprop-1-en-2-yl)benzoate
InChI:
InChI=1S/C11H9F3O2/c1-7(11(12,13)14)8-4-3-5-9(6-8)10(15)16-2/h3-6H,1H2,2H3
InChI Key:
OYSFPYIPDBQUHU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)C(=C)C(F)(F)F
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.186g/mol
Monoisotopic Mass:
230.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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