Home Bromides 1000341-36-5
1000341-36-5,MFCD09263234
Catalog No.:AA0000DZ
1H-Indazole-4-carbonitrile, 3-bromo- | 1000341-36-5
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100mg
1 week  
$203.00
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250mg
1 week  
$312.00
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1g
1 week  
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000DZ
Chemical Name:
1H-Indazole-4-carbonitrile, 3-bromo-
CAS Number:
1000341-36-5
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD09263234
IUPAC Name:
3-bromo-2H-indazole-4-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-8-7-5(4-10)2-1-3-6(7)11-12-8/h1-3H,(H,11,12)
InChI Key:
FMBYTIGGQXFBKG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(Br)n[nH]2
Properties
Computed Properties
 
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.959g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.045g/mol
Monoisotopic Mass:
220.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
3-Bromo-1H-indazole-4-carbonitrile 
1000341-36-5 
DS-7204 
FCH1392005 
AJ-66500 
AX8273309 
3-bromo-2H-indazole-4-carbonitrile 
AK141077 
DTXSID30646713 
MFCD09263234 
ZINC14986022 
AKOS022172970 
1H-Indazole-4-carbonitrile, 3-bromo- 
CB-3898 
Literature
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