Home Other Building Blocks METHYL 2-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYACETATE

METHYL 2-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYACETATE

CAS No.:
1520836-52-5
Catalog Number:
AG01DVIR
Molecular Formula:
C9H8ClFO3
Molecular Weight:
218.6094
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Product Description
Catalog Number:
AG01DVIR
Chemical Name:
METHYL 2-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYACETATE
CAS Number:
1520836-52-5
Molecular Formula:
C9H8ClFO3
Molecular Weight:
218.6094
MDL Number:
MFCD24056728
IUPAC Name:
methyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
InChI:
InChI=1S/C9H8ClFO3/c1-14-9(13)8(12)5-2-3-7(11)6(10)4-5/h2-4,8,12H,1H3
InChI Key:
GQMLOJQXOHWUDC-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(c(c1)Cl)F)O
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.608g/mol
Monoisotopic Mass:
218.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties