Home Halogens Benzeneacetic acid, 2-chloro-3-(trifluoromethyl)-

Benzeneacetic acid, 2-chloro-3-(trifluoromethyl)-

CAS No.:
22902-84-7
Catalog Number:
AG002LFB
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
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Product Description
Catalog Number:
AG002LFB
Chemical Name:
Benzeneacetic acid, 2-chloro-3-(trifluoromethyl)-
CAS Number:
22902-84-7
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD04115992
IUPAC Name:
2-[2-chloro-3-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6ClF3O2/c10-8-5(4-7(14)15)2-1-3-6(8)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:
JZEWYZAIWWNAPZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1Cl)C(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  
Properties