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117027-74-4 | 3-Pyridinecarbonyl chloride, 5-chloro-1,6-dihydro-6-oxo-
CAS No: 117027-74-4 Catalog No: AG000DL7 MDL No:
Product Description
Catalog Number:
AG000DL7
Chemical Name:
3-Pyridinecarbonyl chloride, 5-chloro-1,6-dihydro-6-oxo-
CAS Number:
117027-74-4
Molecular Formula:
C6H3Cl2NO2
Molecular Weight:
191.9995
IUPAC Name:
5-chloro-6-oxo-1H-pyridine-3-carbonyl chloride
InChI:
InChI=1S/C6H3Cl2NO2/c7-4-1-3(5(8)10)2-9-6(4)11/h1-2H,(H,9,11)
InChI Key:
DXPAQTUPQVXLTE-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c[nH]c(=O)c(c1)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.995g/mol
Monoisotopic Mass:
190.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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