Home Halogens 3-bromo-1-(propan-2-yl)-1H-pyrazole

3-bromo-1-(propan-2-yl)-1H-pyrazole

CAS No.:
1354706-35-6
Catalog Number:
AG01AOO9
Molecular Formula:
C6H9BrN2
Molecular Weight:
189.0531
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Product Description
Catalog Number:
AG01AOO9
Chemical Name:
3-bromo-1-(propan-2-yl)-1H-pyrazole
CAS Number:
1354706-35-6
Molecular Formula:
C6H9BrN2
Molecular Weight:
189.0531
MDL Number:
MFCD23134826
IUPAC Name:
3-bromo-1-propan-2-ylpyrazole
InChI:
InChI=1S/C6H9BrN2/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3
InChI Key:
GJVGXZORKKMNQY-UHFFFAOYSA-N
SMILES:
CC(n1ccc(n1)Br)C
Properties
Complexity:
95.1  
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:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties