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1396554-44-1 | 3,4-Pyridinediamine, 2-bromo-N4-methyl-
CAS No: 1396554-44-1 Catalog No: AG001BG3 MDL No:MFCD22415287
Product Description
Catalog Number:
AG001BG3
Chemical Name:
3,4-Pyridinediamine, 2-bromo-N4-methyl-
CAS Number:
1396554-44-1
Molecular Formula:
C6H8BrN3
Molecular Weight:
202.0518
MDL Number:
MFCD22415287
IUPAC Name:
2-bromo-4-N-methylpyridine-3,4-diamine
InChI:
InChI=1S/C6H8BrN3/c1-9-4-2-3-10-6(7)5(4)8/h2-3H,8H2,1H3,(H,9,10)
InChI Key:
IRUUOKUGVROVDG-UHFFFAOYSA-N
SMILES:
CNc1ccnc(c1N)Br
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.99g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.055g/mol
Monoisotopic Mass:
200.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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