Home Bromides 114086-30-5
114086-30-5,MFCD09263248
Catalog No.:AA000AG4
114086-30-5 | 3-Bromo-1h-indazole-6-carboxylic acid
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1g
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$116.00   $81.00
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Technical Information
Catalog Number:
AA000AG4
Chemical Name:
3-Bromo-1h-indazole-6-carboxylic acid
CAS Number:
114086-30-5
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD09263248
IUPAC Name:
3-bromo-2H-indazole-6-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChI Key:
PKOJMSAMIIFLSC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]nc2Br
Properties
Computed Properties
 
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3-Bromo-1H-indazole-6-carboxylic acid 
114086-30-5 
PKOJMSAMIIFLSC-UHFFFAOYSA-N 
MFCD09263248 
ZINC14986047 
AKOS022172004 
AS-9376 
CB-3902 
PB14693 
KS-000006O6 
1h-indazole-6-carboxylic acid,3-bromo- 
AJ-66508 
1H-Indazole-6-carboxylicacid, 3-bromo- 
SC-53904 
DB-060583 
CS-0051497 
FT-0735126 
Q-1449 
1H-Indazole-6-carboxylic acid, 3-bromo- 
3-bromo-2H-indazole-6-carboxylic acid 
ACMC-20mjps 
3-Bromo-6-carboxyindazole 
SCHEMBL9818232 
CTK0H0532 
DTXSID00600807 
Literature
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