Home Halogens methyl 2-chloro-2-[2-(trifluoromethyl)phenyl]acetate

methyl 2-chloro-2-[2-(trifluoromethyl)phenyl]acetate

CAS No.:
1250584-13-4
Catalog Number:
AG01BJ2B
Molecular Formula:
C10H8ClF3O2
Molecular Weight:
252.6175
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Product Description
Catalog Number:
AG01BJ2B
Chemical Name:
methyl 2-chloro-2-[2-(trifluoromethyl)phenyl]acetate
CAS Number:
1250584-13-4
Molecular Formula:
C10H8ClF3O2
Molecular Weight:
252.6175
MDL Number:
MFCD16723906
IUPAC Name:
methyl 2-chloro-2-[2-(trifluoromethyl)phenyl]acetate
InChI:
InChI=1S/C10H8ClF3O2/c1-16-9(15)8(11)6-4-2-3-5-7(6)10(12,13)14/h2-5,8H,1H3
InChI Key:
MIHZHARLDBUUOS-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1C(F)(F)F)Cl
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.016g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.617g/mol
Monoisotopic Mass:
252.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties