AG00GUGJ

914347-91-4 | Ethyl 3-fluoro-4-nitrobenzoate

AG00GUGJ

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CAS Number	914347-91-4
Catalog Number	AG00GUGJ(AGN-PC-07A1HU)
Chemical Name	Ethyl 3-fluoro-4-nitrobenzoate
IUPAC Name	ethyl 3-fluoro-4-nitrobenzoate
InChI	InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-8(11(13)14)7(10)5-6/h3-5H,2H2,1H3
InChI Key	BFEJCZKSFRXXDG-UHFFFAOYSA-N
MDL Number	MFCD07782042
Molecular Formula	C9H8FNO4
Molecular Weight	213.1625
SMILES	FC1=C(C=CC(=C1)C(=O)OCC)[N+](=O)[O-]
Synonyms	Ethyl 3-Fluoro-4-nitrobenzoate, 914347-91-4, ETHYL3-FLUORO-4-NITROBENZOATE, SCHEMBL692577, CTK6F6212, ethyl 3-fluoro-4-nitro-benzoate, KS-00000HUT, DTXSID90661760, BFEJCZKSFRXXDG-UHFFFAOYSA-N, ZINC8698535, ANW-64169, MFCD07782042, SBB094769, AKOS012420100, AS-8586, CM12782, CS-W003432, RP26746, 3-Fluoro-4-nitrobenzoic acid ethyl ester, AJ-58148, AK-10092, BR-10092, CJ-13453, SY031000, 3-fluoro-4-nitro-benzoic acid ethyl ester, DB-001925, TR-028750, FT-0764805, ST24030564, W9403, MFCD07782042 (95%), S-2906, J-520874, C9H8FNO4,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.044g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.164g/mol
Monoisotopic Mass	213.044g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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