AG003STL

1211594-21-6 | N-Boc-7-fluoro-3,4-dihydroquinoline-4(2H)-one

AG003STL

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CAS Number	1211594-21-6
Catalog Number	AG003STL(AGN-PC-0BSIU5)
Chemical Name	N-Boc-7-fluoro-3,4-dihydroquinoline-4(2H)-one
IUPAC Name	tert-butyl 7-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxylate
InChI	InChI=1S/C14H16FNO3/c1-14(2,3)19-13(18)16-7-6-12(17)10-5-4-9(15)8-11(10)16/h4-5,8H,6-7H2,1-3H3
InChI Key	YYGPYBIGAQSMOJ-UHFFFAOYSA-N
MDL Number	MFCD11111220
Molecular Formula	C14H16FNO3
Molecular Weight	265.2801
SMILES	O=C1CCN(C(OC(C)(C)C)=O)C2=C1C=CC(F)=C2
Synonyms	N-Boc-7-fluoro-3,4-dihydroquinoline-4(2H)-one, 1211594-21-6, TERT-BUTYL 7-FLUORO-4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE, CTK7G2714, KS-00000C4R, 7241AJ, MFCD11111220, ZINC90635761, AKOS024256677, FCH1628002, TRA-0185338, AS-32141, SY019791, TC-308687, K-1510, MFCD11111220 (95+%), tert-butyl 7-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxylate, C14H16FNO3, 7-fluoro-3,4-dihydro-4-oxo-1(2H)-Quinolinecarboxylic acid 1,1-dimethylethyl ester, 1679-64-7,

Complexity	377
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.111g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.284g/mol
Monoisotopic Mass	265.111g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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