AG001CA3

140373-77-9 | Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester

AG001CA3

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CAS Number	140373-77-9
Catalog Number	AG001CA3(AGN-PC-0MY241)
Chemical Name	Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-amino-2-fluorobenzoate
InChI	InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,13H2,1-3H3
InChI Key	FCCRKNYAZJHMME-UHFFFAOYSA-N
MDL Number	MFCD06658385
Molecular Formula	C11H14FNO2
Molecular Weight	211.2328
SMILES	O=C(OC(C)(C)C)C1=CC=C(N)C=C1F
Synonyms	TERT-BUTYL 4-AMINO-2-FLUOROBENZOATE, 140373-77-9, Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester, 4-AMINO-2-FLUORO-BENZOIC ACID TERT-BUTYL ESTER, Tert-butyl4-amino-2-fluorobenzoate, Tert-butyl 4-amino-2-fluoro-benzoate, ACMC-20c3x8, SCHEMBL355847, CTK0H4190, DTXSID90434890, FCCRKNYAZJHMME-UHFFFAOYSA-N, 7766AH, AB1275, MFCD06658385, tert-Butyl-2-fluoro-4-aminobenzoate, ZINC15809732, AKOS005257301, RTC-020998, AJ-67914, SC-59811, DB-007894, TC-020998, 4-amino-2-fluoro-benzoic acid t-butyl ester, FT-0081129, FT-0600090, tert-butyl 2-fluoro-4-aminophenylcarboxylate, 4-Amino-2-fluorobenzoic acid tert-butyl ester, A-7691, I14-40390, Benzoic acid,4-amino-2-fluoro-,1,1-dimethylethyl ester, F2167-3925, 4-Amino-2-fluoro-benzoic acid tert-butyl ester, AldrichCPR, C11H14FNO2, CID10058989, T-BUTYL-2-FLUORO-4-AMINO-BENZOIC ACID,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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