Home Halogens 4-bromo-1-(butan-2-yl)-1H-pyrazole

4-bromo-1-(butan-2-yl)-1H-pyrazole

CAS No.:
1179304-86-9
Catalog Number:
AG01AA0I
Molecular Formula:
C7H11BrN2
Molecular Weight:
203.0796
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Product Description
Catalog Number:
AG01AA0I
Chemical Name:
4-bromo-1-(butan-2-yl)-1H-pyrazole
CAS Number:
1179304-86-9
Molecular Formula:
C7H11BrN2
Molecular Weight:
203.0796
MDL Number:
MFCD12824340
IUPAC Name:
4-bromo-1-butan-2-ylpyrazole
InChI:
InChI=1S/C7H11BrN2/c1-3-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
InChI Key:
QBGURVIJWFJGNZ-UHFFFAOYSA-N
SMILES:
CC(n1cc(cn1)Br)CC
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.011g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.083g/mol
Monoisotopic Mass:
202.011g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties