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1215205-45-0 | Benzeneacetic acid, 3-chloro-α,α-difluoro-2-methyl-, ethyl ester
CAS No: 1215205-45-0 Catalog No: AG00155R MDL No:MFCD15143542
Product Description
Catalog Number:
AG00155R
Chemical Name:
Benzeneacetic acid, 3-chloro-α,α-difluoro-2-methyl-, ethyl ester
CAS Number:
1215205-45-0
Molecular Formula:
C11H11ClF2O2
Molecular Weight:
248.6536
MDL Number:
MFCD15143542
IUPAC Name:
ethyl 2-(3-chloro-2-methylphenyl)-2,2-difluoroacetate
InChI:
InChI=1S/C11H11ClF2O2/c1-3-16-10(15)11(13,14)8-5-4-6-9(12)7(8)2/h4-6H,3H2,1-2H3
InChI Key:
FGFPSZZQLDSXEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccc(c1C)Cl)(F)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.654g/mol
Monoisotopic Mass:
248.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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