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55317-53-8,MFCD03086184
Catalog No.:AA003EN0
55317-53-8 | 2-(1H-Pyrazol-1-yl)benzoic acid
Pack Size
Purity
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1g
95%
1 week  
$80.00   $56.00
- +
5g
95%
1 week  
$232.00   $163.00
- +
25g
95%
1 week  
$882.00   $617.00
- +
100g
95%
1 week  
$3,112.00   $2,179.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003EN0
Chemical Name:
2-(1H-Pyrazol-1-yl)benzoic acid
CAS Number:
55317-53-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD03086184
IUPAC Name:
2-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)
InChI Key:
MHACZVWKWUMHRR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1n1cccn1
Properties
Computed 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:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
2-pyrazolylbenzoic acid 
2-(1H-pyrazol-1-yl)benzoic acid 
PubChem19561 
AC1Q73MO 
2-(1-Pyrazolyl)benzoicAcid 
SCHEMBL1339393 
CTK5A3404 
DTXSID20406202 
MHACZVWKWUMHRR-UHFFFAOYSA-N 
AC1Q7254 
ALBB-009316 
KS-00000CC1 
55317-53-8 
ZINC2506147 
MFCD03086184 
SBB046402 
STK500648 
AKOS000182156 
Benzoic acid,2-(1H-pyrazol-1-yl)- 
AB13118 
AC-2823 
MCULE-2749588273 
RP03579 
2-(1-pyrazolyl)benzoic acid 
TRA0089023 
AJ-36103 
AN-13561 
SY003054 
TS-02645 
AB0041659 
TR-019509 
FT-0679546 
ST45136325 
Y9447 
2-pyrazol-1-ylbenzoic Acid 
EN300-39877 
2-(1H-Pyrazol-1-yl)benzoic acid, AldrichCPR 
C-1438 
MFCD03086184 (97+%) 
A830589 
J-505360 
I14-17379 
F1903-0386 
2- BENZOICACID 
C10H8N2O2 
2-(pyrazol-1-yl)benzoic acid 
CID4738383 
2-(1H-Pyrazol-1-yl)benzoic acid, 97% - 1G 1g 
BENZOIC ACID, 2-(1H-PYRAZOL-1-YL)- 
2-PYRAZOL-1-YL-BENZOIC ACID 
2-pyrazolylbenzoic acid 
AC1NHDGG 
Literature

Title: Synthesis of 4-substituted chlorophthalazines, dihydrobenzoazepinediones, 2-pyrazolylbenzoic acid, and 2-pyrazolylbenzohydrazide via 3-substituted 3-hydroxyisoindolin-1-ones.

Journal: The Journal of organic chemistry 20120420

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