AG007QL7

21410-06-0 | 3-Benzyl-7-chloro-3H-[1,2,3]-triazolo[4,5-d]pyrimidine

AG007QL7

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CAS Number	21410-06-0
Catalog Number	AG007QL7(AGN-PC-0NJJVS)
Chemical Name	3-Benzyl-7-chloro-3H-[1,2,3]-triazolo[4,5-d]pyrimidine
IUPAC Name	3-benzyl-7-chlorotriazolo[4,5-d]pyrimidine
InChI	InChI=1S/C11H8ClN5/c12-10-9-11(14-7-13-10)17(16-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key	KVYUVZPCMWVWAU-UHFFFAOYSA-N
MDL Number	MFCD09038669
Molecular Formula	C11H8ClN5
Molecular Weight	245.6677
SMILES	C(C1=CC=CC=C1)[N]2C3=C(N=N2)C(=NC=N3)Cl
Synonyms	21410-06-0, 3-Benzyl-7-chloro-3H-[1,2,3]-triazolo[4,5-d]pyrimidine, 3-Benzyl-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 3-benzyl-7-chlorotriazolo[4,5-d]pyrimidine, 3H-1,2,3-Triazolo[4,5-d]pyrimidine,7-chloro-3-(phenylmethyl)-, SCHEMBL4922738, CTK4E6687, 7-chloro-3-benzyl-3H-1,2,3-triazolo[4,5-d]pyrimidine, DTXSID70503876, ANW-51506, MFCD09038669, ZINC39251792, AKOS015839363, FCH2822095, ACM21410060, AJ-99407, AK-24362, AS-30813, BR-24362, CJ-19879, AB0023400, AX8159591, ST2410485, TR-010035, 4CH-008364, W4446, VU0650000-1, S-6772, 3-benzyl-7-chloro-[1,2,3]triazolo[4,5-d]pyrimidine, C11H8ClN5,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.047g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.67g/mol
Monoisotopic Mass	245.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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