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70042-58-9 | Carbonochloridic acid,(1,1-dimethylethyl)cyclohexyl ester (9CI)
CAS No: 70042-58-9 Catalog No: AG005GBG MDL No:
Product Description
Catalog Number:
AG005GBG
Chemical Name:
Carbonochloridic acid,(1,1-dimethylethyl)cyclohexyl ester (9CI)
CAS Number:
70042-58-9
Molecular Formula:
C11H19ClO2
Molecular Weight:
218.7204
IUPAC Name:
(1-tert-butylcyclohexyl) carbonochloridate
InChI:
InChI=1S/C11H19ClO2/c1-10(2,3)11(14-9(12)13)7-5-4-6-8-11/h4-8H2,1-3H3
InChI Key:
ACTNFHSDNDLYAM-UHFFFAOYSA-N
SMILES:
ClC(=O)OC1(CCCCC1)C(C)(C)C
UN Number:
2747
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.107g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.721g/mol
Monoisotopic Mass:
218.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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