AG001PLP

157665-46-8 | Benzoic acid, 2-fluoro-4-nitro-, 1,1-dimethylethyl ester

AG001PLP

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CAS Number	157665-46-8
Catalog Number	AG001PLP(AGN-PC-0N17HV)
Chemical Name	Benzoic acid, 2-fluoro-4-nitro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-fluoro-4-nitrobenzoate
InChI	InChI=1S/C11H12FNO4/c1-11(2,3)17-10(14)8-5-4-7(13(15)16)6-9(8)12/h4-6H,1-3H3
InChI Key	ISOZHNCXGVENLC-UHFFFAOYSA-N
MDL Number	MFCD03095343
Molecular Formula	C11H12FNO4
Molecular Weight	241.2157
SMILES	O=C(OC(C)(C)C)C1=CC=C([N+]([O-])=O)C=C1F
Synonyms	157665-46-8, TERT-BUTYL 2-FLUORO-4-NITROBENZOATE, 2-Fluoro-4-nitrobenzoic acid t-butyl ester, Benzoic acid, 2-fluoro-4-nitro-, 1,1-dimethylethyl ester, 2-fluoro-4-nitro-benzoic acid tert butyl ester, Tert-butyl 2-fluoro-4-nitro-benzoate, SCHEMBL3758268, CTK4C9430, DTXSID20437238, ISOZHNCXGVENLC-UHFFFAOYSA-N, ZINC2384141, AB1289, MFCD03095343, AKOS013218399, Tert-Butyl-2-Fluoro-4-nitro-benzoate, AJ-35072, N674, SC-62673, AX8027648, BC3835330, DB-064180, RT-015918, BB 0260859, FT-0727411, 2-fluoro-4-nitrobenzoic acid tert-butyl ester, K-4952, 2-FLUORO-4-NITRO-BENZOIC ACID TERT-BUTYL ESTER, Benzoic acid,2-fluoro-4-nitro-, 1,1-dimethylethyl ester, C11H12FNO4, CID10243388,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.075g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.218g/mol
Monoisotopic Mass	241.075g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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