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886500-31-8 | 2-Chloro-6-(Trifluoromethyl)Phenylacetic Acid
CAS No: 886500-31-8 Catalog No: AG003H02 MDL No:MFCD06660234
Product Description
Catalog Number:
AG003H02
Chemical Name:
2-Chloro-6-(Trifluoromethyl)Phenylacetic Acid
CAS Number:
886500-31-8
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD06660234
IUPAC Name:
2-[2-chloro-6-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6ClF3O2/c10-7-3-1-2-6(9(11,12)13)5(7)4-8(14)15/h1-3H,4H2,(H,14,15)
InChI Key:
QVSWFQSUELDCNS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(Cl)cccc1C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.59g/mol
Monoisotopic Mass:
238.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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