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146096-45-9 | Ethanimidic acid, 2,2,2-trichloro-, 2-methyl-1-propen-1-yl ester
CAS No: 146096-45-9 Catalog No: AG001DOE MDL No:
Product Description
Catalog Number:
AG001DOE
Chemical Name:
Ethanimidic acid, 2,2,2-trichloro-, 2-methyl-1-propen-1-yl ester
CAS Number:
146096-45-9
Molecular Formula:
C6H8Cl3NO
Molecular Weight:
216.4928
IUPAC Name:
2-methylprop-1-enyl 2,2,2-trichloroethanimidate
InChI:
InChI=1S/C6H8Cl3NO/c1-4(2)3-11-5(10)6(7,8)9/h3,10H,1-2H3
InChI Key:
IYVTZBUKALQTJV-UHFFFAOYSA-N
SMILES:
N=C(C(Cl)(Cl)Cl)OC=C(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.967g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.486g/mol
Monoisotopic Mass:
214.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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