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116546-83-9 | 2-Propanone, 1,1,1-trichloro-3-(2(1H)-pyridinylidene)-
CAS No: 116546-83-9 Catalog No: AG000CRQ MDL No:
Product Description
Catalog Number:
AG000CRQ
Chemical Name:
2-Propanone, 1,1,1-trichloro-3-(2(1H)-pyridinylidene)-
CAS Number:
116546-83-9
Molecular Formula:
C8H6Cl3NO
Molecular Weight:
238.4983
IUPAC Name:
3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol
InChI:
InChI=1S/C8H6Cl3NO/c9-8(10,11)7(13)5-6-3-1-2-4-12-6/h1-5,13H
InChI Key:
IPASCCUJLJWDQH-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)C=c1cccc[nH]1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.492g/mol
Monoisotopic Mass:
236.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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