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18133-58-9 | Acetic acid, 2,2-dichloro-, 4-methylphenyl ester
CAS No: 18133-58-9 Catalog No: AG0022TT MDL No:
Product Description
Catalog Number:
AG0022TT
Chemical Name:
Acetic acid, 2,2-dichloro-, 4-methylphenyl ester
CAS Number:
18133-58-9
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
IUPAC Name:
(4-methylphenyl) 2,2-dichloroacetate
InChI:
InChI=1S/C9H8Cl2O2/c1-6-2-4-7(5-3-6)13-9(12)8(10)11/h2-5,8H,1H3
InChI Key:
QWSKTKPSTHOFMI-UHFFFAOYSA-N
SMILES:
ClC(C(=O)Oc1ccc(cc1)C)Cl
NSC Number:
55408
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.061g/mol
Monoisotopic Mass:
217.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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