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149597-17-1 | 2-Propenoic acid, 3,3-dibromo-2-(trifluoromethyl)-, ethyl ester
CAS No: 149597-17-1 Catalog No: AG001LUU MDL No:
Product Description
Catalog Number:
AG001LUU
Chemical Name:
2-Propenoic acid, 3,3-dibromo-2-(trifluoromethyl)-, ethyl ester
CAS Number:
149597-17-1
Molecular Formula:
C6H5Br2F3O2
Molecular Weight:
325.9059
IUPAC Name:
ethyl 3,3-dibromo-2-(trifluoromethyl)prop-2-enoate
InChI:
InChI=1S/C6H5Br2F3O2/c1-2-13-5(12)3(4(7)8)6(9,10)11/h2H2,1H3
InChI Key:
VJKXYMSGLQPDNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(Br)Br)C(F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.859g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.907g/mol
Monoisotopic Mass:
323.861g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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