Home Other Building Blocks 4-CHLORO-3-(TRIFLUOROMETHOXY)PHENYLACETIC ACID

4-CHLORO-3-(TRIFLUOROMETHOXY)PHENYLACETIC ACID

CAS No.:
886501-02-6
Catalog Number:
AG003L4B
Molecular Formula:
C9H6ClF3O3
Molecular Weight:
254.5903
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Product Description
Catalog Number:
AG003L4B
Chemical Name:
4-CHLORO-3-(TRIFLUOROMETHOXY)PHENYLACETIC ACID
CAS Number:
886501-02-6
Molecular Formula:
C9H6ClF3O3
Molecular Weight:
254.5903
MDL Number:
MFCD06660251
IUPAC Name:
2-[4-chloro-3-(trifluoromethoxy)phenyl]acetic acid
InChI:
InChI=1S/C9H6ClF3O3/c10-6-2-1-5(4-8(14)15)3-7(6)16-9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:
JLISEZFNOVSYFN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)OC(F)(F)F)Cl
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.996g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.589g/mol
Monoisotopic Mass:
253.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties