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89619-76-1 | Ethanimidic acid, 2,2,2-trichloro-, 4-hydroxy-2-butenyl ester, (Z)-
CAS No: 89619-76-1 Catalog No: AG003X0E MDL No:
Product Description
Catalog Number:
AG003X0E
Chemical Name:
Ethanimidic acid, 2,2,2-trichloro-, 4-hydroxy-2-butenyl ester, (Z)-
CAS Number:
89619-76-1
Molecular Formula:
C6H8Cl3NO2
Molecular Weight:
232.4922
IUPAC Name:
4-hydroxybut-2-enyl 2,2,2-trichloroethanimidate
InChI:
InChI=1S/C6H8Cl3NO2/c7-6(8,9)5(10)12-4-2-1-3-11/h1-2,10-11H,3-4H2
InChI Key:
WEPKWKFMGZJPNS-UHFFFAOYSA-N
SMILES:
OCC=CCOC(=N)C(Cl)(Cl)Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.962g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.485g/mol
Monoisotopic Mass:
230.962g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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