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121653-93-8 | 9H-Purin-2-amine, 6-chloro-9-(4-chloro-2-butyn-1-yl)-
CAS No: 121653-93-8 Catalog No: AG0015HW MDL No:
Product Description
Catalog Number:
AG0015HW
Chemical Name:
9H-Purin-2-amine, 6-chloro-9-(4-chloro-2-butyn-1-yl)-
CAS Number:
121653-93-8
Molecular Formula:
C9H7Cl2N5
Molecular Weight:
256.0914
IUPAC Name:
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
InChI:
InChI=1S/C9H7Cl2N5/c10-3-1-2-4-16-5-13-6-7(11)14-9(12)15-8(6)16/h5H,3-4H2,(H2,12,14,15)
InChI Key:
CGIMYFHZRQSXHY-UHFFFAOYSA-N
SMILES:
ClCC#CCn1cnc2c1nc(N)nc2Cl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.09g/mol
Monoisotopic Mass:
255.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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