AG002URP

27799-91-3 | 1H-Benzotriazole, 6-methoxy-

AG002URP

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CAS Number	27799-91-3
Catalog Number	AG002URP(AGN-PC-0O8J0U)
Chemical Name	1H-Benzotriazole, 6-methoxy-
EC Number	248-663-7
IUPAC Name	5-methoxy-2H-benzotriazole
InChI	InChI=1S/C7H7N3O/c1-11-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
InChI Key	SUPSFAUIWDRKKZ-UHFFFAOYSA-N
MDL Number	MFCD00962763
Molecular Formula	C7H7N3O
Molecular Weight	149.1500
SMILES	COC1=CC=C(NN=N2)C2=C1
Synonyms	27799-91-3, 5-Methoxy-1H-benzo[d][1,2,3]triazole, 5-Methoxy-1H-benzotriazole, 1H-Benzotriazole, 5-methoxy-, 5-Methoxybenzotriazole, SUPSFAUIWDRKKZ-UHFFFAOYSA-N, EINECS 248-663-7, 6-methoxy-benzotriazole, 6-methoxyl-benzotriazole, 5-methoxy,1h-benzotriazole, 5-methoxy-2H-benzotriazole, AC1L3PC5, AC1Q4W7D, 6-methoxyl-1H-benzotriazole, 1H-Benzotriazole,5-methoxy-, 1H-Benzotriazole,6-methoxy-, SCHEMBL204478, 1H-Benzotriazole, 6-methoxy-, SCHEMBL16178973, CTK4G0272, DTXSID70182120, KS-00000MA6, ZINC5115788, 6-methoxy-1H-1,2,3-benzotriazole, FCH842747, MFCD00962763, AKOS006274267, DS-5070, MCULE-2345630885, 5-Methoxy-1H-1,2,3-benzotriazole #, ACM27799913, AJ-53136, AK126169, CC-04575, AX8058671, FT-0080479, FT-0638725, C-29272, C7-H7-N3-O, AR-1G8657, CID119717, RW1458, 28566-87-2,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.059g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.153g/mol
Monoisotopic Mass	149.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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