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1007089-84-0 | Pyridine, 3-(chloromethyl)-5-methyl-, hydrochloride (1:1)
CAS No: 1007089-84-0 Catalog No: AG0002OR MDL No:MFCD11656303
Product Description
Catalog Number:
AG0002OR
Chemical Name:
Pyridine, 3-(chloromethyl)-5-methyl-, hydrochloride (1:1)
CAS Number:
1007089-84-0
Molecular Formula:
C7H9Cl2N
Molecular Weight:
178.0591
MDL Number:
MFCD11656303
IUPAC Name:
3-(chloromethyl)-5-methylpyridine;hydrochloride
InChI:
InChI=1S/C7H8ClN.ClH/c1-6-2-7(3-8)5-9-4-6;/h2,4-5H,3H2,1H3;1H
InChI Key:
NCAHREJYXFDWGE-UHFFFAOYSA-N
SMILES:
Cc1cc(CCl)cnc1.Cl
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.056g/mol
Monoisotopic Mass:
177.011g/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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