Home Halogens 4-bromo-3,5-diethyl-1-methyl-1H-pyrazole

4-bromo-3,5-diethyl-1-methyl-1H-pyrazole

CAS No.:
1545093-80-8
Catalog Number:
AG01DVLJ
Molecular Formula:
C8H13BrN2
Molecular Weight:
217.1062
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Product Description
Catalog Number:
AG01DVLJ
Chemical Name:
4-bromo-3,5-diethyl-1-methyl-1H-pyrazole
CAS Number:
1545093-80-8
Molecular Formula:
C8H13BrN2
Molecular Weight:
217.1062
MDL Number:
MFCD24286785
IUPAC Name:
4-bromo-3,5-diethyl-1-methylpyrazole
InChI:
InChI=1S/C8H13BrN2/c1-4-6-8(9)7(5-2)11(3)10-6/h4-5H2,1-3H3
InChI Key:
GNQKPOHBAILOPL-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1Br)CC)C
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.026g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.11g/mol
Monoisotopic Mass:
216.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties