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113379-30-9 | 9H-Purine, 6-chloro-9-(3-chloropropyl)-
CAS No: 113379-30-9 Catalog No: AG0008DD MDL No:
Product Description
Catalog Number:
AG0008DD
Chemical Name:
9H-Purine, 6-chloro-9-(3-chloropropyl)-
CAS Number:
113379-30-9
Molecular Formula:
C8H8Cl2N4
Molecular Weight:
231.0819
IUPAC Name:
6-chloro-9-(3-chloropropyl)purine
InChI:
InChI=1S/C8H8Cl2N4/c9-2-1-3-14-5-13-6-7(10)11-4-12-8(6)14/h4-5H,1-3H2
InChI Key:
HJJYNUSCIQRKTH-UHFFFAOYSA-N
SMILES:
ClCCCn1cnc2c1ncnc2Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.08g/mol
Monoisotopic Mass:
230.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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