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Home Amines 1017782-09-0
1017782-09-0,MFCD09997888
Catalog No.:AA0005FL
1017782-09-0 | 5-Bromo-6-methoxy-3-nitro-pyridin-2-ylamine
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Technical Information
Catalog Number:
AA0005FL
Chemical Name:
5-Bromo-6-methoxy-3-nitro-pyridin-2-ylamine
CAS Number:
1017782-09-0
Molecular Formula:
C6H6BrN3O3
Molecular Weight:
248.0341
MDL Number:
MFCD09997888
IUPAC Name:
5-bromo-6-methoxy-3-nitropyridin-2-amine
InChI:
InChI=1S/C6H6BrN3O3/c1-13-6-3(7)2-4(10(11)12)5(8)9-6/h2H,1H3,(H2,8,9)
InChI Key:
RJUQFVVTWROHSV-UHFFFAOYSA-N
SMILES:
COc1nc(N)c(cc1Br)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.959g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.036g/mol
Monoisotopic Mass:
246.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
5-bromo-6-methoxy-3-nitropyridin-2-amine 
1017782-09-0 
ZINC98180697 
AKOS024260860 
DS-8194 
FCH1397442 
AK155026 
AJ-141803 
AX8289634 
DB-058691 
FT-0740708 
2-Pyridinamine, 5-bromo-6-methoxy-3-nitro- 
5-BROMO-6-METHOXY-3-NITRO-PYRIDIN-2-YLAMINE 
Z-7536 
C6H6BrN3O3 
SCHEMBL14859100 
KS-00000SCZ 
DTXSID80696187 
RJUQFVVTWROHSV-UHFFFAOYSA-N 
3144AJ 
MFCD09997888 
Literature
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