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16184-61-5 | 2-Propenoic acid, 2-methyl-, 2,3,4,5,6-pentachlorophenyl ester
CAS No: 16184-61-5 Catalog No: AG001VXV MDL No:
Product Description
Catalog Number:
AG001VXV
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,3,4,5,6-pentachlorophenyl ester
CAS Number:
16184-61-5
Molecular Formula:
C10H5Cl5O2
Molecular Weight:
334.4105
IUPAC Name:
(2,3,4,5,6-pentachlorophenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C10H5Cl5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3
InChI Key:
AYYISYPLHCSQGL-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.87g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.398g/mol
Monoisotopic Mass:
331.873g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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