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1001401-62-2,MFCD20486491
Catalog No.:AA0000ZR
1001401-62-2 | Benzoic acid, 2-(2H-1,2,3-triazol-2-yl)-
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Purity
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Price(USD)
Quantity
  
1g
95%
in stock  
$50.00
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5g
95%
in stock  
$200.00
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10g
95%
in stock  
$356.00
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25g
95%
in stock  
$712.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000ZR
Chemical Name:
Benzoic acid, 2-(2H-1,2,3-triazol-2-yl)-
CAS Number:
1001401-62-2
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD20486491
IUPAC Name:
2-(triazol-2-yl)benzoic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-10-5-6-11-12/h1-6H,(H,13,14)
InChI Key:
UTENUPFWBIFKPW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1n1nccn1
Properties
Computed Properties
 
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
2-(2H-1,2,3-TRIAZOL-2-YL)BENZOIC ACID 
1001401-62-2 
AKOS022913826 
FCH1218109 
PB15449 
2-[1,2,3]Triazol-2-yl-benzoic acid 
KS-000004W2 
2-[1,2,3]-Triazol-2-yl-benzoic acid 
AK170418 
AS-34125 
SC-96036 
DB-058306 
Benzoic acid, 2-(2H-1,2,3-triazol-2-yl)- 
AM20020065 
CS-0052302 
FT-0757025 
C-8708 
2-(2H-1,2,3-triazol-2-yl)-benzoic acid 
2-(triazol-2-yl)benzoic acid 
SCHEMBL1586233 
DTXSID00612228 
UTENUPFWBIFKPW-UHFFFAOYSA-N 
MFCD20486491 
ZINC76914422 
Literature
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