Home Bromides 1049706-72-0
1049706-72-0,MFCD12828179
Catalog No.:AA003IZH
1049706-72-0 | 3-Bromo-4-methyl-5-nitro-2-pyridinone
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Purity
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1g
95%
in stock  
$136.00   $95.00
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5g
>95%
in stock  
$445.00   $312.00
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Technical Information
Catalog Number:
AA003IZH
Chemical Name:
3-Bromo-4-methyl-5-nitro-2-pyridinone
CAS Number:
1049706-72-0
Molecular Formula:
C6H5BrN2O3
Molecular Weight:
233.0195
MDL Number:
MFCD12828179
IUPAC Name:
3-bromo-4-methyl-5-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C6H5BrN2O3/c1-3-4(9(11)12)2-8-6(10)5(3)7/h2H,1H3,(H,8,10)
InChI Key:
JJTIUCLTXGGQCH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=O)c(c1C)Br
Properties
Computed Properties
 
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.948g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.021g/mol
Monoisotopic Mass:
231.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
1049706-72-0 
3-Bromo-4-methyl-5-nitro-2-pyridinone 
DTXSID20653951 
ZLD0307 
JJTIUCLTXGGQCH-UHFFFAOYSA-N 
ACT06194 
5828AJ 
MFCD12828179 
ZINC32914813 
AKOS015842229 
NE44680 
AC-25585 
3-Bromo-4-methyl-5-nitropyridin-2(1H)-one 
AJ-85643 
CJ-18001 
CS-11425 
SY020303 
TC-063237 
CS-0046914 
FT-0652894 
3-bromanyl-4-methyl-5-nitro-1H-pyridin-2-one 
K-0446 
MFCD12828179 (95+%) 
3-bromo-4-methyl-5-nitropyridin-2-ol 
A801119 
S02-0064 
C6H5BrN2O3 
2(1H)-Pyridinone, 3-bromo-4-methyl-5-nitro- 
3-bromo-4-methyl-5-nitro-1H-pyridin-2-one 
3-Bromo-4-methyl-5-nitro-pyridin-2-ol 
3-bromo-4-methyl-5-nitro-1,2-dihydropyridin-2-one 
zlchem 846 
SCHEMBL1200250 
CTK8C6575 
Literature
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