AG0075TJ

1186050-58-7 | Benzoic acid, 2-​fluoro-​6-​(2H-​1,​2,​3-​triazol-​2-​yl)​-

AG0075TJ

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CAS Number	1186050-58-7
Catalog Number	AG0075TJ(AGN-PC-0H904C)
Chemical Name	Benzoic acid, 2-​fluoro-​6-​(2H-​1,​2,​3-​triazol-​2-​yl)​-
IUPAC Name	2-fluoro-6-(triazol-2-yl)benzoic acid
InChI	InChI=1S/C9H6FN3O2/c10-6-2-1-3-7(8(6)9(14)15)13-11-4-5-12-13/h1-5H,(H,14,15)
InChI Key	NTPOZDBAGMLNQA-UHFFFAOYSA-N
MDL Number	MFCD23135320
Molecular Formula	C9H6FN3O2
Molecular Weight	207.1612
SMILES	C(=O)(O)c1c(cccc1F)n1nccn1
Synonyms	2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid, 1186050-58-7, 2-fluoro-6-(triazol-2-yl)benzoic acid, AK101440, SCHEMBL1586205, CTK8B8336, DTXSID60736398, NTPOZDBAGMLNQA-UHFFFAOYSA-N, KS-00000Q6C, 3053AA, ANW-60177, MFCD23135320, ZINC82048527, AKOS016004547, DS-3715, DA-14938, AJ-124743, AX8232979, TC-148922, FT-0697391, 2-Fluoro-6-[1,2,3]triazol-2-yl-benzoic acid, Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid, C9H6FN3O2, 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoicacid, 6-(2H-1,2,3-Triazole-2-yl)-fluorobenzoicacid, 98% - 5G 5g,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.044g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.164g/mol
Monoisotopic Mass	207.044g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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