Home Other Building Blocks 3-(1H-Pyrazol-4-yl)benzoic acid

3-(1H-Pyrazol-4-yl)benzoic acid

CAS No.:
1002535-21-8
Catalog Number:
AG0001DY
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$94
- +
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG0001DY
Chemical Name:
3-(1H-Pyrazol-4-yl)benzoic acid
CAS Number:
1002535-21-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD06739075
IUPAC Name:
3-(1H-pyrazol-4-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
InChI Key:
BXSUQWZHUHROLP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1c[nH]nc1
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties