Home Halogens Benzeneacetic acid, 3-chloro-2-fluoro-5-(trifluoromethyl)-

Benzeneacetic acid, 3-chloro-2-fluoro-5-(trifluoromethyl)-

CAS No.:
261763-13-7
Catalog Number:
AG002S1L
Molecular Formula:
C9H5ClF4O2
Molecular Weight:
256.5814
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Product Description
Catalog Number:
AG002S1L
Chemical Name:
Benzeneacetic acid, 3-chloro-2-fluoro-5-(trifluoromethyl)-
CAS Number:
261763-13-7
Molecular Formula:
C9H5ClF4O2
Molecular Weight:
256.5814
MDL Number:
MFCD01631516
IUPAC Name:
2-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H5ClF4O2/c10-6-3-5(9(12,13)14)1-4(8(6)11)2-7(15)16/h1,3H,2H2,(H,15,16)
InChI Key:
ORXABTQTILJYQU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(cc(c1F)Cl)C(F)(F)F
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.991g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.581g/mol
Monoisotopic Mass:
255.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties