Home Bromides 395101-67-4
395101-67-4,MFCD09263218
Catalog No.:AA003IWP
395101-67-4 | 3-Bromo-1h-indazole-5-carbonitrile
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250mg
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1g
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  • Technical Information
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Technical Information
Catalog Number:
AA003IWP
Chemical Name:
3-Bromo-1h-indazole-5-carbonitrile
CAS Number:
395101-67-4
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD09263218
IUPAC Name:
3-bromo-2H-indazole-5-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-8-6-3-5(4-10)1-2-7(6)11-12-8/h1-3H,(H,11,12)
InChI Key:
WVHZCDQLDZQYPH-UHFFFAOYSA-N
SMILES:
Brc1n[nH]c2c1cc(cc2)C#N
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-5-carbonitrile 
395101-67-4 
3-BROMO-5-CYANOINDAZOLE 
CTK4I1448 
DTXSID60624024 
WVHZCDQLDZQYPH-UHFFFAOYSA-N 
3-Bromo-1H-5-indazolecarbonitrile 
ANW-54025 
CB-138 
MFCD09263218 
ZINC14985973 
1H-Indazole-5-carbonitrile,3-bromo- 
3-bromo-2H-indazole-5-carbonitrile 
AKOS015836077 
AM85752 
FCH1328487 
MB07229 
QC-4263 
RP05213 
3-BROMO-INDAZOLE-5-CARBONITRILE 
KS-0000062C 
AJ-66487 
BC004895 
1H-Indazole-5-carbonitrile, 3-bromo- 
CJ-14873 
DS-15143 
AB0038068 
AX8085172 
DB-069825 
TR-072522 
CS-0042024 
FT-0711516 
Y5416 
L-1411 
AK-49753 
I10-0638 
J-511796 
C8H4BrN3 
3-BROMO-5-CYANO INDAZOLE 
PubChem23218 
ACMC-1BMUK 
AMBZ0274 
SCHEMBL2870356 
3-Bromo-5-cyano (1H)indazole 
Literature
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