Home Bromides 1105193-10-9
1105193-10-9,MFCD16653163
Catalog No.:AA01AQMV
1105193-10-9 | 1-(3-bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$372.00   $260.00
- +
500mg
95.0%
3 weeks  
$666.00   $466.00
- +
1g
95.0%
3 weeks  
$938.00   $656.00
- +
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Technical Information
Catalog Number:
AA01AQMV
Chemical Name:
1-(3-bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
1105193-10-9
Molecular Formula:
C8H6BrN3O
Molecular Weight:
240.0567
MDL Number:
MFCD16653163
IUPAC Name:
2-(3-bromophenyl)-4H-1,2,4-triazol-3-one
InChI:
InChI=1S/C8H6BrN3O/c9-6-2-1-3-7(4-6)12-8(13)10-5-11-12/h1-5H,(H,10,11,13)
InChI Key:
UCGGXHGJXGAQOU-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)n1nc[nH]c1=O
Properties
Computed Properties
 
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.06g/mol
Monoisotopic Mass:
238.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1-(3-bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one 
1105193-10-9 
ZINC26423762 
FCH1346580 
EN300-237239 
Literature
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