Home Halogens methyl 2-chloro-2-(3,4,5-trifluorophenyl)acetate

methyl 2-chloro-2-(3,4,5-trifluorophenyl)acetate

CAS No.:
1339534-82-5
Catalog Number:
AG01DYNV
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
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Product Description
Catalog Number:
AG01DYNV
Chemical Name:
methyl 2-chloro-2-(3,4,5-trifluorophenyl)acetate
CAS Number:
1339534-82-5
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD17284624
IUPAC Name:
methyl 2-chloro-2-(3,4,5-trifluorophenyl)acetate
InChI:
InChI=1S/C9H6ClF3O2/c1-15-9(14)7(10)4-2-5(11)8(13)6(12)3-4/h2-3,7H,1H3
InChI Key:
TWGMTJOJAIOEGA-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cc(F)c(c(c1)F)F)Cl
Properties
Complexity:
227  
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:
0
Isotope Atom Count:
0
Molecular Weight:
238.59g/mol
Monoisotopic Mass:
238.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties