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

3-(chloromethyl)-4-methyl-1H-pyrazole hydrochloride

CAS No.:
2095410-54-9
Catalog Number:
AG01E91T
Molecular Formula:
C5H8Cl2N2
Molecular Weight:
167.0364
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Product Description
Catalog Number:
AG01E91T
Chemical Name:
3-(chloromethyl)-4-methyl-1H-pyrazole hydrochloride
CAS Number:
2095410-54-9
Molecular Formula:
C5H8Cl2N2
Molecular Weight:
167.0364
MDL Number:
MFCD30730429
IUPAC Name:
5-(chloromethyl)-4-methyl-1H-pyrazole;hydrochloride
InChI:
InChI=1S/C5H7ClN2.ClH/c1-4-3-7-8-5(4)2-6;/h3H,2H2,1H3,(H,7,8);1H
InChI Key:
KOUDPTQYTVOMJE-UHFFFAOYSA-N
SMILES:
Cc1c[nH]nc1CCl.Cl
Properties
Complexity:
76.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.006g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.033g/mol
Monoisotopic Mass:
166.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties