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2756-52-7 | Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2,3,4,5,6-pentachlorophenyl ester
CAS No: 2756-52-7 Catalog No: AG002U2L MDL No:
Product Description
Catalog Number:
AG002U2L
Chemical Name:
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2,3,4,5,6-pentachlorophenyl ester
CAS Number:
2756-52-7
Molecular Formula:
C16H15Cl5O2
Molecular Weight:
416.5541
IUPAC Name:
(2,3,4,5,6-pentachlorophenyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
InChI:
InChI=1S/C16H15Cl5O2/c1-6(2)5-7-8(16(7,3)4)15(22)23-14-12(20)10(18)9(17)11(19)13(14)21/h5,7-8H,1-4H3
InChI Key:
RSZXHSOZHNQRLF-UHFFFAOYSA-N
SMILES:
O=C(C1C(C1(C)C)C=C(C)C)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
NSC Number:
32517
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.949g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.544g/mol
Monoisotopic Mass:
413.951g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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