AG00356V

185629-31-6 | Methyl 3-Fluoro-4-nitrobenzoate

AG00356V

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CAS Number	185629-31-6
Catalog Number	AG00356V(AGN-PC-0JTG34)
Chemical Name	Methyl 3-Fluoro-4-nitrobenzoate
IUPAC Name	methyl 3-fluoro-4-nitrobenzoate
InChI	InChI=1S/C8H6FNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3
InChI Key	FKMZNQQOPCCUTD-UHFFFAOYSA-N
MDL Number	MFCD08444027
Molecular Formula	C8H6FNO4
Molecular Weight	199.1359
SMILES	FC=1C=C(C(=O)OC)C=CC1[N+](=O)[O-]
Synonyms	Methyl 3-fluoro-4-nitrobenzoate, 185629-31-6, Methyl 3-Fluoro-4-nitrobenzenecarboxylate, Methyl3-fluoro-4-nitrobenzenecarboxylate, 3-Fluoro-4-nitrobenzoic acid methyl ester, Benzoic acid, 3-fluoro-4-nitro-, methyl ester, FKMZNQQOPCCUTD-UHFFFAOYSA-N, MFCD08444027, 3-Fluoro-4-nitro-benzoic acid methyl ester, PubChem15965, AC1LC1LZ, ACMC-209en1, SCHEMBL5934, KSC495E5T, methyl 3-fluro-4nitrobenzoate, SCHEMBL13676425, CTK3J5259, KS-00000BGT, DTXSID00343863, methyl 3-fluoro-4-nitro-benzoate, ACT04536, CS-M0953, Methyl 3-fluoro-4-nitrobenzoate #, ZINC8729894, ANW-23243, CL4112, SBB064896, AKOS005072443, METHYL3-FLUORO-4-NITROBENZOATE, AC-7551, AN-2935, CM-1461, CM12781, EA-0714, LS10112, MCULE-7727080536, QC-9058, RP04196, RTR-008569, TF10558, TRA0039563, VZ36299, 2-Fluoro-4-(methoxycarbonyl)nitrobenzene, AJ-58893, AK-31975, BR-31975, CJ-13540, SC-47896, SY007424, 3-fluoro-4 nitro benzoic acid methylester, AB0005546, DB-014279, ST2413354, TR-008569, AM20061017, FT-0648881, TL80090989, W4013, C-6138, M04159, MFCD08444027 (97+%), 403M214, I01-6253, W-206335, methyl 3-fluoro-4-nitrobenzenecarboxylate, AldrichCPR, C8H6FNO4, CID592761, ACN-050149, A1559, 403-21-4,

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	2.2

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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