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113506-37-9 | 2-Propenoic acid, 2-methyl-, 3,3-dichloro-2,2,3-trifluoropropyl ester
CAS No: 113506-37-9 Catalog No: AG0008TI MDL No:
Product Description
Catalog Number:
AG0008TI
Chemical Name:
2-Propenoic acid, 2-methyl-, 3,3-dichloro-2,2,3-trifluoropropyl ester
CAS Number:
113506-37-9
Molecular Formula:
C7H7Cl2F3O2
Molecular Weight:
251.0305
IUPAC Name:
(3,3-dichloro-2,2,3-trifluoropropyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C7H7Cl2F3O2/c1-4(2)5(13)14-3-6(10,11)7(8,9)12/h1,3H2,2H3
InChI Key:
HAZCQPRFDROKQC-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)OCC(C(Cl)(Cl)F)(F)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.978g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.026g/mol
Monoisotopic Mass:
249.978g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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