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1133116-03-6 | 2,2-Difluoro-2-(2-(trifluoromethoxy)phenyl)acetic acid
CAS No: 1133116-03-6 Catalog No: AG003FAS MDL No:MFCD11855928
Product Description
Catalog Number:
AG003FAS
Chemical Name:
2,2-Difluoro-2-(2-(trifluoromethoxy)phenyl)acetic acid
CAS Number:
1133116-03-6
Molecular Formula:
C9H5F5O3
Molecular Weight:
256.1262
MDL Number:
MFCD11855928
IUPAC Name:
2,2-difluoro-2-[2-(trifluoromethoxy)phenyl]acetic acid
InChI:
InChI=1S/C9H5F5O3/c10-8(11,7(15)16)5-3-1-2-4-6(5)17-9(12,13)14/h1-4H,(H,15,16)
InChI Key:
JIKMKBRSFLYDPZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1OC(F)(F)F)(F)F
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.128g/mol
Monoisotopic Mass:
256.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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