Home Halogens 4-chloro-1-(chloromethyl)-1H-pyrazole hydrochloride

4-chloro-1-(chloromethyl)-1H-pyrazole hydrochloride

CAS No.:
860807-35-8
Catalog Number:
AG01C5NC
Molecular Formula:
C4H5Cl3N2
Molecular Weight:
187.4549
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Product Description
Catalog Number:
AG01C5NC
Chemical Name:
4-chloro-1-(chloromethyl)-1H-pyrazole hydrochloride
CAS Number:
860807-35-8
Molecular Formula:
C4H5Cl3N2
Molecular Weight:
187.4549
MDL Number:
MFCD29991437
IUPAC Name:
4-chloro-1-(chloromethyl)pyrazole;hydrochloride
InChI:
InChI=1S/C4H4Cl2N2.ClH/c5-3-8-2-4(6)1-7-8;/h1-2H,3H2;1H
InChI Key:
ABTGQNYVYONETO-UHFFFAOYSA-N
SMILES:
ClCn1ncc(c1)Cl.Cl
Properties
Complexity:
78.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.952g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.448g/mol
Monoisotopic Mass:
185.952g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties