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1242339-48-5 | 3,6-Dibromo-1,8-naphthyridine-2,7-diamine
CAS No: 1242339-48-5 Catalog No: AG01FBJ7 MDL No:
Product Description
Catalog Number:
AG01FBJ7
Chemical Name:
3,6-Dibromo-1,8-naphthyridine-2,7-diamine
CAS Number:
1242339-48-5
Molecular Formula:
C8H6Br2N4
Molecular Weight:
317.9680
IUPAC Name:
3,6-dibromo-1,8-naphthyridine-2,7-diamine
InChI:
InChI=1S/C8H6Br2N4/c9-4-1-3-2-5(10)7(12)14-8(3)13-6(4)11/h1-2H,(H4,11,12,13,14)
InChI Key:
MSDDRUKRJRKVRQ-UHFFFAOYSA-N
SMILES:
Brc1cc2cc(Br)c(nc2nc1N)N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.894g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.972g/mol
Monoisotopic Mass:
315.896g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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