AG002VNC

28539-02-8 | 1-(Hydroxymethyl)benzotriazole

AG002VNC

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CAS Number	28539-02-8
Catalog Number	AG002VNC(AGN-PC-0JNCPJ)
Chemical Name	1-(Hydroxymethyl)benzotriazole
IUPAC Name	benzotriazol-1-ylmethanol
InChI	InChI=1S/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H2
InChI Key	MXJIHEXYGRXHGP-UHFFFAOYSA-N
MDL Number	MFCD00179118
Molecular Formula	C7H7N3O
Molecular Weight	149.1500
NSC Number	12463
SMILES	OCN1N=NC2=CC=CC=C21
Synonyms	1H-Benzotriazole-1-methanol, 28539-02-8, 1-(Hydroxymethyl)benzotriazole, 1H-benzotriazol-1-ylmethanol, 1-Benzotriazolemethanol, 1H-1,2,3-benzotriazol-1-ylmethanol, benzotriazol-1-ylmethanol, (1H-benzo[d][1,2,3]triazol-1-yl)methanol, NSC12463, 1-(Hydroxymethyl)-1H-benzotriazole, 1H-1,2,3-Benzotriazole-1-methanol, (1H-1,2,3-benzotriazol-1-yl)methanol, ACMC-1CMAY, AC1Q7DCM, benzotriazolylmethan-1-ol, 1-hydroxymethylbenzotriazole, 1H-benztriazole-1-methanol, AC1L5D3K, AC1Q4XI5, 1-hydroxymethyl benzotriazole, SCHEMBL260406, 1-hydroxy methyl benzotriazole, 1H-benzotriazol-1-yl methanol, 1H-benzotriazol-1-yl-methanol, 1-(Hydroxymethyl) benzotriazole, CTK1A4365, KS-00000VKG, DTXSID10279361, MXJIHEXYGRXHGP-UHFFFAOYSA-N, 1,2,3-benzotriazol-1-ylmethanol, ZINC126761, STR05581, 1H-Benzotriazole-1-methanol, 98%, 5127AJ, ANW-26411, BBL003240, MFCD00179118, NSC-12463, STK387447, AKOS000281187, 1H-1,2,3-benzotriazole-1-ylmethanol, CB-3429, MCULE-2768730195, AK208783, SC-97641, SY024115, ZB004404, AB0074863, DB-004880, TC-115156, FT-0638784, H2599, ST50113838, MFCD00179118 (96%), J-017118, I01-17229, F0807-0573, InChI=1/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H, C7H7N3O, (1H-Benzotriazole-1-yl)methanol, AR-1C1630, CID224169, B1903, 131880-16-5, 34264-59-0,

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	50.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number