Home Other Building Blocks 1002535-21-8
1002535-21-8,MFCD06739075
Catalog No.:AA0001B6
1002535-21-8 | Benzoic acid, 3-(1H-pyrazol-4-yl)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$75.00
- +
250mg
95%
in stock  
$150.00
- +
1g
95%
in stock  
$156.00
- +
5g
95%
in stock  
$512.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001B6
Chemical Name:
Benzoic acid, 3-(1H-pyrazol-4-yl)-
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
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:
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  

Synonyms
 
3-(1H-pyrazol-4-yl)benzoic Acid 
1002535-21-8 
DTXSID30428319 
BXSUQWZHUHROLP-UHFFFAOYSA-N 
ZINC4294283 
Benzoicacid,3-(1H-pyrazol-4-yl)- 
MFCD06739075 
SBB052732 
3-(1 h-pyrazol-4-yl)-benzoic acid 
AKOS000314407 
AB28538 
FS-1840 
3-(1H-Pyrazol-4-yl)-benzoic acid 
MCULE-1648663882 
AJ-50414 
AB1008793 
RT-016711 
BB 0261740 
FT-0690078 
KS-00002593 
3-(1H-Pyrazol-4-yl)benzoic acid, AldrichCPR 
K-0157 
EWG 
3-(1 H -Pyrazol-4-yl)-benzoic acid 
null 
3-(3-Carboxyphenyl)-1H-pyrazole 
ACN-045273 
CID7174253 
Benzoic acid, 3-(1H-pyrazol-4-yl)- 
PubChem22757 
AC1OGS3P 
3-pyrazol-4-ylbenzoic acid 
SCHEMBL1759327 
CTK3J8696 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: