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119396-04-2 | Pyridine, 4-chloro-2-(chloromethyl)-, hydrochloride (1:1)
CAS No: 119396-04-2 Catalog No: AG000IOL MDL No:MFCD08234868
Product Description
Catalog Number:
AG000IOL
Chemical Name:
Pyridine, 4-chloro-2-(chloromethyl)-, hydrochloride (1:1)
CAS Number:
119396-04-2
Molecular Formula:
C6H6Cl3N
Molecular Weight:
198.4775
MDL Number:
MFCD08234868
IUPAC Name:
4-chloro-2-(chloromethyl)pyridine;hydrochloride
InChI:
InChI=1S/C6H5Cl2N.ClH/c7-4-6-3-5(8)1-2-9-6;/h1-3H,4H2;1H
InChI Key:
YSQIIEIEMVWLQG-UHFFFAOYSA-N
SMILES:
ClCc1nccc(c1)Cl.Cl
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.957g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.471g/mol
Monoisotopic Mass:
196.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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