AG00371H

58656-98-7 | tert-Butyl 4-fluorobenzoate

AG00371H

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CAS Number	58656-98-7
Catalog Number	AG00371H(AGN-PC-0KK7TU)
Chemical Name	tert-Butyl 4-fluorobenzoate
IUPAC Name	tert-butyl 4-fluorobenzoate
InChI	InChI=1S/C11H13FO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChI Key	ZZLARVGXLOCKHG-UHFFFAOYSA-N
MDL Number	MFCD01320759
Molecular Formula	C11H13FO2
Molecular Weight	196.2181
SMILES	FC1=CC=C(C(=O)OC(C)(C)C)C=C1
Synonyms	tert-butyl 4-fluorobenzoate, 58656-98-7, t-Butyl 4-fluorobenzoate, Benzoic acid, 4-fluoro-, 1,1-dimethylethyl ester, 4-fluorobenzoic acid tert-butyl ester, AC1MC5LL, t-butyl-4-fluorobenzoate, tert-Butyl p-fluorobenzoate, SCHEMBL210873, CTK5A8646, DTXSID80371366, ZZLARVGXLOCKHG-UHFFFAOYSA-N, TERT-BUTYL-4-FLUOROBENZOATE, KS-00000H3X, ZINC2379366, 6103AE, BBL100359, MFCD01320759, SBB092009, STL554153, AKOS009158064, CS-W023011, MCULE-7049301763, PS-8269, AJ-34566, AK142050, SC-43145, TR-020375, FT-0676144, C-5198, I01-15339, Z1328785622, T-BUTYL4-FLUOROBENZOATE, C11H13FO2, ZINC02379366, CID2736444,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.221g/mol
Monoisotopic Mass	196.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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