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Home > Quinoline > 158000-98-7
158000-98-7 | 6-Quinolinecarbonyl chloride, hydrochloride (1:1)
CAS No: 158000-98-7 Catalog No: AG001PVT MDL No:MFCD11501925
Product Description
Catalog Number:
AG001PVT
Chemical Name:
6-Quinolinecarbonyl chloride, hydrochloride (1:1)
CAS Number:
158000-98-7
Molecular Formula:
C10H7Cl2NO
Molecular Weight:
228.0747
MDL Number:
MFCD11501925
IUPAC Name:
quinoline-6-carbonyl chloride;hydrochloride
InChI:
InChI=1S/C10H6ClNO.ClH/c11-10(13)8-3-4-9-7(6-8)2-1-5-12-9;/h1-6H;1H
InChI Key:
QXRUURIWNYPMGL-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)cccn2.Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.072g/mol
Monoisotopic Mass:
226.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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