Home Halogens 5-(2-bromoethyl)-1-methyl-1H-pyrazole

5-(2-bromoethyl)-1-methyl-1H-pyrazole

CAS No.:
1340091-69-1
Catalog Number:
AG01BA0B
Molecular Formula:
C6H9BrN2
Molecular Weight:
189.0531
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Product Description
Catalog Number:
AG01BA0B
Chemical Name:
5-(2-bromoethyl)-1-methyl-1H-pyrazole
CAS Number:
1340091-69-1
Molecular Formula:
C6H9BrN2
Molecular Weight:
189.0531
MDL Number:
MFCD19620950
IUPAC Name:
5-(2-bromoethyl)-1-methylpyrazole
InChI:
InChI=1S/C6H9BrN2/c1-9-6(2-4-7)3-5-8-9/h3,5H,2,4H2,1H3
InChI Key:
XJWYFEQOMPSWAG-UHFFFAOYSA-N
SMILES:
Cn1nccc1CCBr
Properties
Complexity:
87.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.995g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.056g/mol
Monoisotopic Mass:
187.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties