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1198-39-6 | Quinoline, 4,7-dichloro-, hydrochloride (1:1)
CAS No: 1198-39-6 Catalog No: AG000PNX MDL No:
Product Description
Catalog Number:
AG000PNX
Chemical Name:
Quinoline, 4,7-dichloro-, hydrochloride (1:1)
CAS Number:
1198-39-6
Molecular Formula:
C9H6Cl3N
Molecular Weight:
234.5096
IUPAC Name:
4,7-dichloroquinoline;hydrochloride
InChI:
InChI=1S/C9H5Cl2N.ClH/c10-6-1-2-7-8(11)3-4-12-9(7)5-6;/h1-5H;1H
InChI Key:
NFIFQHSRZZNWTJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2Cl.Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.957g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.504g/mol
Monoisotopic Mass:
232.957g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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