Home Halogens 4-bromo-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole

4-bromo-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole

CAS No.:
2090477-79-3
Catalog Number:
AG01BRSN
Molecular Formula:
C6H8BrClN2
Molecular Weight:
223.4981
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Product Description
Catalog Number:
AG01BRSN
Chemical Name:
4-bromo-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole
CAS Number:
2090477-79-3
Molecular Formula:
C6H8BrClN2
Molecular Weight:
223.4981
MDL Number:
MFCD31629340
IUPAC Name:
4-bromo-3-(chloromethyl)-1,5-dimethylpyrazole
InChI:
InChI=1S/C6H8BrClN2/c1-4-6(7)5(3-8)9-10(4)2/h3H2,1-2H3
InChI Key:
QJJCLVQVAKBNOE-UHFFFAOYSA-N
SMILES:
ClCc1nn(c(c1Br)C)C
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.956g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.498g/mol
Monoisotopic Mass:
221.956g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties