AG003RXS

393-85-1 | Methyl 5-fluoro-2-nitrobenzoate

AG003RXS

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CAS Number	393-85-1
Catalog Number	AG003RXS(AGN-PC-0LNIDG)
Chemical Name	Methyl 5-fluoro-2-nitrobenzoate
EC Number	609-664-1
IUPAC Name	methyl 5-fluoro-2-nitrobenzoate
InChI	InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
InChI Key	LCAUVFVOLNRVKG-UHFFFAOYSA-N
MDL Number	MFCD03425619
Molecular Formula	C8H6FNO4
Molecular Weight	199.1359
SMILES	O=C(OC)C1=CC(F)=CC=C1[N+]([O-])=O
Synonyms	Methyl 5-fluoro-2-nitrobenzoate, 393-85-1, 5-fluoro-2-nitrobenzoic acid methyl ester, 2-Nitro-5-fluorobenzoic acid methyl ester, 2-nitro-5-fluorobenzoic acid, methyl ester, MFCD03425619, Benzoic acid, 5-fluoro-2-nitro-, methyl ester, AC1NP71P, AC1Q42CN, SCHEMBL137523, ACMC-209j50, methyl 5fluoro-2-nitrobenzoate, CTK4I1321, KS-00000BIP, DTXSID60408886, LCAUVFVOLNRVKG-UHFFFAOYSA-N, WT240, ACN-S004269, ZINC2576430, ANW-29074, SBB092418, AKOS010096849, METHYL5-FLUORO-2-NITROBENZOATE, CM12786, CS-W010511, MCULE-9290646411, TRA0037517, AJ-42519, AK-39891, BR-39891, CJ-10100, DS-14514, SC-47360, SY011925, 2-Nitro-5-fluorobenzoic Acid,Methyl Ester, 3-fluoro-6-nitrobenzoic acid methyl ester, 5-fluoro-2-nitro-benzoic acid methyl ester, AB0024657, DB-069807, ST2413454, TR-015763, FT-0672787, TL80074012, W5976, Benzoic acid,5-fluoro-2-nitro-, methyl ester, EN300-70464, B-3064, MFCD03425619 (97+%), I01-10475, 393-85-1 2-nitro-5-fluorobenzoic acid, methyl ester, C8H6FNO4, Methyl 5-fluoro-2-nitro-benzoate, CID5152049, EC 609-664-1,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.028g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.137g/mol
Monoisotopic Mass	199.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number