AG00BDZF

28128-28-1 | 8-chloro-9H-Purin-6-amine

AG00BDZF

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CAS Number	28128-28-1
Catalog Number	AG00BDZF(AGN-PC-0JTJEK)
Chemical Name	8-chloro-9H-Purin-6-amine
IUPAC Name	8-chloro-7H-purin-6-amine
InChI	InChI=1S/C5H4ClN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
InChI Key	FBVALAOQISRDRY-UHFFFAOYSA-N
MDL Number	MFCD04118031
Molecular Formula	C5H4ClN5
Molecular Weight	169.5718
NSC Number	22712
SMILES	Nc1c2c(nc(n2)Cl)nc[nH]1
Synonyms	8-chloroadenine, 8-chloro-7H-purin-6-amine, 8-Chloroadenine, 28128-28-1, 9H-Purin-6-amine, 8-chloro-, FBVALAOQISRDRY-UHFFFAOYSA-N, W-202178, Adenine, 8-chloro-, AC1LCB1L, 8-Chloro-9H-purin-6-amine, SCHEMBL842439, 8-Chloro-9H-purin-6-amine #, CTK8B7838, DTXSID30344585, NSC22712, ZINC1595876, ANW-58739, FCH849188, NSC-22712, AKOS006292412, NCGC00096098-01, AJ-27827, AK-68414, CJ-25572, TC-147484, CID598099,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.016g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.572g/mol
Monoisotopic Mass	169.016g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	80.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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