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168167-48-4 | Pyridine, 4-chloro-2-(chloromethyl)-3-methyl-
CAS No: 168167-48-4 Catalog No: AG001XVM MDL No:
Product Description
Catalog Number:
AG001XVM
Chemical Name:
Pyridine, 4-chloro-2-(chloromethyl)-3-methyl-
CAS Number:
168167-48-4
Molecular Formula:
C7H7Cl2N
Molecular Weight:
176.0432
IUPAC Name:
4-chloro-2-(chloromethyl)-3-methylpyridine
InChI:
InChI=1S/C7H7Cl2N/c1-5-6(9)2-3-10-7(5)4-8/h2-3H,4H2,1H3
InChI Key:
ZYUFKURTVOBEOQ-UHFFFAOYSA-N
SMILES:
ClCc1nccc(c1C)Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.04g/mol
Monoisotopic Mass:
174.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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