Home Halogens 4-(chloromethyl)-3-methyl-1-(propan-2-yl)-1H-pyrazole hydrochloride

4-(chloromethyl)-3-methyl-1-(propan-2-yl)-1H-pyrazole hydrochloride

CAS No.:
2126160-24-3
Catalog Number:
AG01ELTM
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
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Product Description
Catalog Number:
AG01ELTM
Chemical Name:
4-(chloromethyl)-3-methyl-1-(propan-2-yl)-1H-pyrazole hydrochloride
CAS Number:
2126160-24-3
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
MDL Number:
MFCD31381343
IUPAC Name:
4-(chloromethyl)-3-methyl-1-propan-2-ylpyrazole;hydrochloride
InChI:
InChI=1S/C8H13ClN2.ClH/c1-6(2)11-5-8(4-9)7(3)10-11;/h5-6H,4H2,1-3H3;1H
InChI Key:
VMMDJURFRIABPX-UHFFFAOYSA-N
SMILES:
ClCc1cn(nc1C)C(C)C.Cl
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.114g/mol
Monoisotopic Mass:
208.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties