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1017782-09-0 | 2-Pyridinamine, 5-bromo-6-methoxy-3-nitro-
CAS No: 1017782-09-0 Catalog No: AG0005ID MDL No:MFCD09997888
Product Description
Catalog Number:
AG0005ID
Chemical Name:
2-Pyridinamine, 5-bromo-6-methoxy-3-nitro-
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
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
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