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1778-95-6 | Acetic acid, 2-chloro-, 2-chlorophenyl ester
CAS No: 1778-95-6 Catalog No: AG0025KG MDL No:
Product Description
Catalog Number:
AG0025KG
Chemical Name:
Acetic acid, 2-chloro-, 2-chlorophenyl ester
CAS Number:
1778-95-6
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
IUPAC Name:
(2-chlorophenyl) 2-chloroacetate
InChI:
InChI=1S/C8H6Cl2O2/c9-5-8(11)12-7-4-2-1-3-6(7)10/h1-4H,5H2
InChI Key:
JXRKGLWMAJPFNL-UHFFFAOYSA-N
SMILES:
ClCC(=O)Oc1ccccc1Cl
NSC Number:
8202
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.034g/mol
Monoisotopic Mass:
203.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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