Home Other Building Blocks 3-Isobutyl-1H-pyrazole

3-Isobutyl-1H-pyrazole

CAS No.:
98816-40-1
Catalog Number:
AG006QHX
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$113
- +
5g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG006QHX
Chemical Name:
3-Isobutyl-1H-pyrazole
CAS Number:
98816-40-1
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD08701141
IUPAC Name:
5-(2-methylpropyl)-1H-pyrazole
InChI:
InChI=1S/C7H12N2/c1-6(2)5-7-3-4-8-9-7/h3-4,6H,5H2,1-2H3,(H,8,9)
InChI Key:
KLQAJWMVWOATSI-UHFFFAOYSA-N
SMILES:
CC(Cc1cc[nH]n1)C
Properties
Complexity:
81  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties