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100367-40-6 | 2-Pyridinamine, 5-bromo-4-methyl-3-nitro-
CAS No: 100367-40-6 Catalog No: AG0001QT MDL No:MFCD00092197
Product Description
Catalog Number:
AG0001QT
Chemical Name:
2-Pyridinamine, 5-bromo-4-methyl-3-nitro-
CAS Number:
100367-40-6
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
MDL Number:
MFCD00092197
IUPAC Name:
5-bromo-4-methyl-3-nitropyridin-2-amine
InChI:
InChI=1S/C6H6BrN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)
InChI Key:
KFVGEPWMVKZPND-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)ncc(c1C)Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.037g/mol
Monoisotopic Mass:
230.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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