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116184-17-9 | Pyridinol, 2,3,6-trichloro- (9CI)
CAS No: 116184-17-9 Catalog No: AG000BUG MDL No:
Product Description
Catalog Number:
AG000BUG
Chemical Name:
Pyridinol, 2,3,6-trichloro- (9CI)
CAS Number:
116184-17-9
Molecular Formula:
C5H4Cl3NO
Molecular Weight:
200.4504
IUPAC Name:
2,3,6-trichloro-1H-pyridin-4-one
InChI:
InChI=1S/C5H2Cl3NO/c6-3-1-2(10)4(7)5(8)9-3/h1H,(H,9,10)
InChI Key:
UIZJMRPXPQUICO-UHFFFAOYSA-N
SMILES:
ClC1=CC=C(C(N1)(O)Cl)Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.92g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.427g/mol
Monoisotopic Mass:
196.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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