AG004SM1

82846-18-2 | 3-Methoxy-4-fluorobenzoic acid

AG004SM1

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CAS Number	82846-18-2
Catalog Number	AG004SM1(AGN-PC-0JTJME)
Chemical Name	3-Methoxy-4-fluorobenzoic acid
IUPAC Name	4-fluoro-3-methoxybenzoic acid
InChI	InChI=1S/C8H7FO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key	LWGCZCMLPRMKIZ-UHFFFAOYSA-N
MDL Number	MFCD00272134
Molecular Formula	C8H7FO3
Molecular Weight	170.1378
SMILES	O(C)c1cc(C(=O)O)ccc1F
Synonyms	4-Fluoro-3-methoxybenzoic acid, 82846-18-2, 3-methoxy-4-fluorobenzoic acid, 4-Fluoro-m-anisic Acid, Benzoic acid, 4-fluoro-3-methoxy-, 4-Fluoro-3-methoxybenzoicacid, 4-fluoro-3-methoxy-benzoic acid, LWGCZCMLPRMKIZ-UHFFFAOYSA-N, MFCD00272134, 4-fluoranyl-3-methoxy-benzoic acid, PubChem1394, AC1LCBIE, ACMC-209pqm, AC1Q45LL, KSC495C0R, SCHEMBL156299, RARECHEM AL BO 0973, CTK3J5108, DTXSID80344636, 4-FLUORO-META-ANISIC ACID, BUTTPARK 14\01-28, 4-Fluoro-3-methoxybenzoic acid #, ACT00841, KS-000004YJ, ZINC4255934, ANW-37628, CF-934, CL8120, FC1099, SBB051453, WT2226, AKOS005063676, AC-3974, AS02599, CM12753, CS-W017707, MCULE-2262622690, MF-0046, RP23216, RTR-025879, TF10333, TRA0090166, VZ29028, AJ-49775, AK-36487, AN-12455, BR-36487, SC-50833, SY013659, 4-Fluoro-3-methoxybenzoic acid, AldrichCPR, AB0007535, AB1006257, DB-031136, TR-025879, 4CH-000798, AM20041220, F0681, FT-0081493, FT-0618480, ST24022929, ST50408464, X4493, MFCD00272134 (95%), 82846-18-2 4-fluoro-3-methoxybenzoic acid, S-1546, A818078, A840465, I01-4969, J-515373, Z1741958104, C8H7FO3, 3-methoxy-4-fluorobenzoicacid, CID598436, 4-Fluoro-3-methoxybenzoic acid, 98% - 1G 1g, 2591-86-8,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.139g/mol
Monoisotopic Mass	170.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number