AG004P8N

853070-30-1 | tert-Butyl 5-amino-2-fluorobenzoate

AG004P8N

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CAS Number	853070-30-1
Catalog Number	AG004P8N(AGN-PC-0UZRYX)
Chemical Name	tert-Butyl 5-amino-2-fluorobenzoate
IUPAC Name	tert-butyl 5-amino-2-fluorobenzoate
InChI	InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)8-6-7(13)4-5-9(8)12/h4-6H,13H2,1-3H3
InChI Key	CFAFNDBKLVKVHO-UHFFFAOYSA-N
MDL Number	MFCD09037864
Molecular Formula	C11H14FNO2
Molecular Weight	211.2328
SMILES	CC(OC(C1=C(F)C=CC(N)=C1)=O)(C)C
Synonyms	TERT-BUTYL 5-AMINO-2-FLUOROBENZOATE, 853070-30-1, Benzoic acid,5-amino-2-fluoro-, 1,1-dimethylethyl ester, SCHEMBL14505214, CTK5F4748, DTXSID00567921, CFAFNDBKLVKVHO-UHFFFAOYSA-N, AB2720, MFCD09037864, ZINC34462828, AJ-88719, AS-44651, tert-butyl 5-azanyl-2-fluoranyl-benzoate, FT-0693988, 5-amino-2-fluorobenzoic acid tert-butyl ester, A841289, TERT-BUTYL5-AMINO-2-FLUOROBENZOATE,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.101g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.236g/mol
Monoisotopic Mass	211.101g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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