AG002GBS

1928-76-3 | 9H-Purine, 6-chloro-9-(phenylmethyl)-

AG002GBS

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CAS Number	1928-76-3
Catalog Number	AG002GBS(AGN-PC-0JO8WS)
Chemical Name	9H-Purine, 6-chloro-9-(phenylmethyl)-
IUPAC Name	9-benzyl-6-chloropurine
InChI	InChI=1S/C12H9ClN4/c13-11-10-12(15-7-14-11)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key	NKEFCVAMNJICJZ-UHFFFAOYSA-N
MDL Number	MFCD00127805
Molecular Formula	C12H9ClN4
Molecular Weight	244.6797
NSC Number	25716
SMILES	ClC1=C2N=CN(CC3=CC=CC=C3)C2=NC=N1
Synonyms	9-benzyl-6-chloro-9H-purine, 1928-76-3, 9-benzyl-6-chloropurine, 6-Chloro-9-benzylpurine, 9H-Purine, 6-chloro-9-(phenylmethyl)-, AK142099, NSC25716, AC1L5JYH, AC1Q3SVO, CHEMBL7944, 9-Benyl-6-chloro-9H-purine, 6-Chloro-9-benzyl-9H-purine, SCHEMBL2980291, CTK4E1112, DTXSID30282397, NKEFCVAMNJICJZ-UHFFFAOYSA-N, KS-00000FK6, ZINC1622239, MFCD00127805, NSC-25716, AKOS003621319, ACM1928763, CB-2314, DS-7488, FCH2720548, 9H-Purine,6-chloro-9-(phenylmethyl)-, AJ-28381, AM807660, CJ-26168, 9-Benzyl-6-chloro-9H-purine, AldrichCPR, AB0048059, AX8111671, DB-081555, FT-0664588, W-4931, J-012485, I14-23857, AR-1H5466, CID230631, 22095-76-7,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.052g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.682g/mol
Monoisotopic Mass	244.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number