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Home > Bromides > 1227958-56-6
1227958-56-6 | 9H-Purine, 6-broMo-8-(2,6-dichlorophenyl)-
CAS No: 1227958-56-6 Catalog No: AG000JH9 MDL No:MFCD22576475
Product Description
Catalog Number:
AG000JH9
Chemical Name:
9H-Purine, 6-broMo-8-(2,6-dichlorophenyl)-
CAS Number:
1227958-56-6
Molecular Formula:
C11H5BrCl2N4
Molecular Weight:
343.9942
MDL Number:
MFCD22576475
IUPAC Name:
6-bromo-8-(2,6-dichlorophenyl)-7H-purine
InChI:
InChI=1S/C11H5BrCl2N4/c12-9-8-11(16-4-15-9)18-10(17-8)7-5(13)2-1-3-6(7)14/h1-4H,(H,15,16,17,18)
InChI Key:
CPHQYGWOXFTDEY-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1c1nc2c([nH]1)ncnc2Br)Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.907g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.993g/mol
Monoisotopic Mass:
341.907g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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