AG003I6T

1176089-41-0 | tert-Butyl (6-fluoro-1H-indazol-3-yl)carbamate

AG003I6T

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CAS Number	1176089-41-0
Catalog Number	AG003I6T(AGN-PC-0NZC8Y)
Chemical Name	tert-Butyl (6-fluoro-1H-indazol-3-yl)carbamate
IUPAC Name	tert-butyl N-(6-fluoro-1H-indazol-3-yl)carbamate
InChI	InChI=1S/C12H14FN3O2/c1-12(2,3)18-11(17)14-10-8-5-4-7(13)6-9(8)15-16-10/h4-6H,1-3H3,(H2,14,15,16,17)
InChI Key	KDUYTDJDFFONOE-UHFFFAOYSA-N
MDL Number	MFCD18651681
Molecular Formula	C12H14FN3O2
Molecular Weight	251.2569
SMILES	CC(C)(C)OC(=O)NC1=NNC2=C1C=CC(F)=C2
Synonyms	3-(Boc-amino)-6-fluoro-1H-indazole, 1176089-41-0, tert-Butyl (6-fluoro-1H-indazol-3-yl)carbamate, 5700AJ, MFCD18651681, ZINC89196007, AKOS022183205, FCH1620708, TRA0083745, KS-00000A49, AS-32278, SY012349, AJ-128346, AX8268990, TC-307255, Z-4155, MFCD18651681 (95+%), 2-Methyl-2-propanyl (6-fluoro-1H-indazol-3-yl)carbamate, TERT-BUTYL N-(6-FLUORO-1H-INDAZOL-3-YL)CARBAMATE, carbamic acid,n-(6-fluoro-1h-indazol-3-yl)-,1,1-dimethylethyl ester, C12H14FN3O2, 849035-77-4,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.107g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	251.261g/mol
Monoisotopic Mass	251.107g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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