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87876-75-3 | Carbamic acid, methyl(3-methylbutyl)-, 2,2,2-trichloroethyl ester
CAS No: 87876-75-3 Catalog No: AG004FXU MDL No:
Product Description
Catalog Number:
AG004FXU
Chemical Name:
Carbamic acid, methyl(3-methylbutyl)-, 2,2,2-trichloroethyl ester
CAS Number:
87876-75-3
Molecular Formula:
C9H16Cl3NO2
Molecular Weight:
276.5878
IUPAC Name:
2,2,2-trichloroethyl N-methyl-N-(3-methylbutyl)carbamate
InChI:
InChI=1S/C9H16Cl3NO2/c1-7(2)4-5-13(3)8(14)15-6-9(10,11)12/h7H,4-6H2,1-3H3
InChI Key:
IBJUDVGYTQRESV-UHFFFAOYSA-N
SMILES:
CC(CCN(C(=O)OCC(Cl)(Cl)Cl)C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.582g/mol
Monoisotopic Mass:
275.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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