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132656-21-4 | Cyclopropaneacetic acid, 2-chloro-2-fluoro-, phenylmethyl ester
CAS No: 132656-21-4 Catalog No: AG0010Y2 MDL No:
Product Description
Catalog Number:
AG0010Y2
Chemical Name:
Cyclopropaneacetic acid, 2-chloro-2-fluoro-, phenylmethyl ester
CAS Number:
132656-21-4
Molecular Formula:
C12H12ClFO2
Molecular Weight:
242.6739
IUPAC Name:
benzyl 2-(2-chloro-2-fluorocyclopropyl)acetate
InChI:
InChI=1S/C12H12ClFO2/c13-12(14)7-10(12)6-11(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
CTNMTVBLUPIJFD-UHFFFAOYSA-N
SMILES:
O=C(CC1CC1(F)Cl)OCc1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.674g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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