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1396554-54-3 | 4-Pyridinamine, 2-bromo-N-methyl-3-nitro-
CAS No: 1396554-54-3 Catalog No: AG001BG0 MDL No:MFCD22415286
Product Description
Catalog Number:
AG001BG0
Chemical Name:
4-Pyridinamine, 2-bromo-N-methyl-3-nitro-
CAS Number:
1396554-54-3
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
MDL Number:
MFCD22415286
IUPAC Name:
2-bromo-N-methyl-3-nitropyridin-4-amine
InChI:
InChI=1S/C6H6BrN3O2/c1-8-4-2-3-9-6(7)5(4)10(11)12/h2-3H,1H3,(H,8,9)
InChI Key:
ZMAMQVGVCLDYMJ-UHFFFAOYSA-N
SMILES:
CNc1ccnc(c1[N+](=O)[O-])Br
Properties
Complexity:
173
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:
1
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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