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14225-98-0 | 9H-Purine, 6-(bromomethyl)-
CAS No: 14225-98-0 Catalog No: AG001I2L MDL No:
Product Description
Catalog Number:
AG001I2L
Chemical Name:
9H-Purine, 6-(bromomethyl)-
CAS Number:
14225-98-0
Molecular Formula:
C6H5BrN4
Molecular Weight:
213.0347
IUPAC Name:
6-(bromomethyl)-7H-purine
InChI:
InChI=1S/C6H5BrN4/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,1H2,(H,8,9,10,11)
InChI Key:
KJRSLPCFTVMQGY-UHFFFAOYSA-N
SMILES:
BrCc1ncnc2c1nc[nH]2
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.038g/mol
Monoisotopic Mass:
211.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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