Home Bromides 100047-56-1
100047-56-1,MFCD22548397
Catalog No.:AA0000LT
100047-56-1 | 2(1H)-Pyrazinone, 5-bromo-3-methyl-
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100mg
97%
in stock  
$95.00
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250mg
97%
in stock  
$152.00
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1g
95%
in stock  
$361.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000LT
Chemical Name:
2(1H)-Pyrazinone, 5-bromo-3-methyl-
CAS Number:
100047-56-1
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD22548397
IUPAC Name:
5-bromo-3-methyl-1H-pyrazin-2-one
InChI:
InChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9)
InChI Key:
RNHAEGVBHQSLFS-UHFFFAOYSA-N
SMILES:
Cc1nc(Br)c[nH]c1=O
Properties
Computed Properties
 
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
5-Bromo-3-methylpyrazin-2-ol 
100047-56-1 
2-hydroxy-3-methyl-5-bromopyrazine 
MFCD22548397 
ZINC95774804 
5-Bromo-3-methylpyrazin-2(1H)-one 
5-BroMo-2-hydroxy-3-Methyl pyrazine 
AKOS022171697 
AKOS028114782 
AB85718 
CS-W007103 
DS-5310 
2(1H)-Pyrazinone, 5-bromo-3-methyl- 
FCH3467008 
SC-92632 
SY108685 
AJ-133866 
AX8256625 
ST24044476 
MFCD22548397 (95%) 
AK136185 
2(1H)-Pyrazinone, 5-bromo-3-methyl 
SCHEMBL2553390 
SCHEMBL16631954 
KS-00000RLC 
DTXSID10608399 
RNHAEGVBHQSLFS-UHFFFAOYSA-N 
Literature
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