AG00DIKE

52298-91-6 | 1-ALLYLBENZOTRIAZOLE 96

AG00DIKE

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CAS Number	52298-91-6
Catalog Number	AG00DIKE(AGN-PC-0KXLXV)
Chemical Name	1-ALLYLBENZOTRIAZOLE 96
IUPAC Name	1-prop-2-enylbenzotriazole
InChI	InChI=1S/C9H9N3/c1-2-7-12-9-6-4-3-5-8(9)10-11-12/h2-6H,1,7H2
InChI Key	SZWKYXJUXZLUDP-UHFFFAOYSA-N
MDL Number	MFCD00760406
Molecular Formula	C9H9N3
Molecular Weight	159.1879
SMILES	C=CCN1C2=CC=CC=C2N=N1
Synonyms	1-Allyl-1H-benzo[d][1,2,3]triazole, 52298-91-6, 1-Allylbenzotriazole, 1-ALLYLBENZOTRIAZOLE 96, 1-prop-2-enylbenzotriazole, AC1MTNN6, 1-Allyl-1H-benzotriazole, SCHEMBL253038, CTK4J5723, DTXSID90394445, ZINC404208, ANW-45845, MFCD00760406, AKOS003644535, AJ-22273, AK-88646, DS-18499, ZB013405, DB-032421, TC-134590, FT-0722331, ST24021204, W6711, C9H9N3, CID3627630,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.08g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.192g/mol
Monoisotopic Mass	159.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number