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1196-41-4 | 9H-Purine, 2,6-dibromo-
CAS No: 1196-41-4 Catalog No: AG000P9L MDL No:MFCD00056909
Product Description
Catalog Number:
AG000P9L
Chemical Name:
9H-Purine, 2,6-dibromo-
CAS Number:
1196-41-4
Molecular Formula:
C5H2Br2N4
Molecular Weight:
277.9042
MDL Number:
MFCD00056909
IUPAC Name:
2,6-dibromo-7H-purine
InChI:
InChI=1S/C5H2Br2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChI Key:
YPFDNCJJFMAZPJ-UHFFFAOYSA-N
SMILES:
Brc1nc(Br)c2c(n1)[nH]cn2
EC Number:
214-814-0
NSC Number:
45151
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.863g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.907g/mol
Monoisotopic Mass:
275.865g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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