Home Halogens 3-(chloromethyl)-1,4-dimethyl-1H-pyrazole hydrochloride

3-(chloromethyl)-1,4-dimethyl-1H-pyrazole hydrochloride

CAS No.:
2137587-78-9
Catalog Number:
AG01ELRB
Molecular Formula:
C6H10Cl2N2
Molecular Weight:
181.0630
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Product Description
Catalog Number:
AG01ELRB
Chemical Name:
3-(chloromethyl)-1,4-dimethyl-1H-pyrazole hydrochloride
CAS Number:
2137587-78-9
Molecular Formula:
C6H10Cl2N2
Molecular Weight:
181.0630
MDL Number:
MFCD31449523
IUPAC Name:
3-(chloromethyl)-1,4-dimethylpyrazole;hydrochloride
InChI:
InChI=1S/C6H9ClN2.ClH/c1-5-4-9(2)8-6(5)3-7;/h4H,3H2,1-2H3;1H
InChI Key:
CTMDVJKEWZNQOI-UHFFFAOYSA-N
SMILES:
ClCc1nn(cc1C)C.Cl
Properties
Complexity:
97.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.022g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.06g/mol
Monoisotopic Mass:
180.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties