AG008QFP

73605-91-1 | Ethyl 1H-benzo[d][1,2,3]triazole-5-carboxylate

AG008QFP

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CAS Number	73605-91-1
Catalog Number	AG008QFP(AGN-PC-0OHB1O)
Chemical Name	Ethyl 1H-benzo[d][1,2,3]triazole-5-carboxylate
IUPAC Name	ethyl 2H-benzotriazole-5-carboxylate
InChI	InChI=1S/C9H9N3O2/c1-2-14-9(13)6-3-4-7-8(5-6)11-12-10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChI Key	INHQGDXFYZBMFS-UHFFFAOYSA-N
MDL Number	MFCD00963122
Molecular Formula	C9H9N3O2
Molecular Weight	191.1867
SMILES	O=C(C1=CC=C(NN=N2)C2=C1)OCC
Synonyms	73605-91-1, Ethyl benzotriazole-5-carboxylate, ETHYL 1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBOXYLATE, ETHYL 1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE, 1H-BENZOTRIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER, Ethyl 2H-benzotriazole-5-carboxylate, AC1O4RX7, 1H-Benzotriazole-6-carboxylic acid, ethyl ester, SCHEMBL452867, CTK9A3050, INHQGDXFYZBMFS-UHFFFAOYSA-N, ZINC5285444, CE-284, AKOS006241759, CJ-12555, ethyl 1H-1,2,3-benzotriazole-6-carboxylate, FT-0656334, V7544, 605E911, I14-2891, C9H9N3O2, CID6412359,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.069g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.19g/mol
Monoisotopic Mass	191.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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