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1236306-04-9 | Benzeneacetic acid, 2-chloro-5-fluoro-, methyl ester
CAS No: 1236306-04-9 Catalog No: AG01F8FM MDL No:
Product Description
Catalog Number:
AG01F8FM
Chemical Name:
Benzeneacetic acid, 2-chloro-5-fluoro-, methyl ester
CAS Number:
1236306-04-9
Molecular Formula:
C9H8ClFO2
Molecular Weight:
202.6100
IUPAC Name:
methyl 2-(2-chloro-5-fluorophenyl)acetate
InChI:
InChI=1S/C9H8ClFO2/c1-13-9(12)5-6-4-7(11)2-3-8(6)10/h2-4H,5H2,1H3
InChI Key:
LRHXMYXMYWSDED-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(F)ccc1Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.609g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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