AG003LEA

403-15-6 | 4-Fluoro-3-Methylbenzoic Acid

AG003LEA

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CAS Number	403-15-6
Catalog Number	AG003LEA(AGN-PC-0JOGY0)
Chemical Name	4-Fluoro-3-Methylbenzoic Acid
IUPAC Name	4-fluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H7FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key	VOCCEVKUXUIHOI-UHFFFAOYSA-N
MDL Number	MFCD01631424
Molecular Formula	C8H7FO2
Molecular Weight	154.1384
NSC Number	51778
SMILES	O=C(O)C1=CC=C(F)C(C)=C1
Synonyms	4-Fluoro-3-methylbenzoic acid, 403-15-6, 4-Fluoro-m-toluic acid, 4-Fluoro-3-methylbenzoicacid, 3-methyl-4-fluorobenzoic acid, 4-fluoro-3-methyl-benzoic acid, 3-METHYL-4-FLUORO BENZOIC ACID, Benzoic acid, 4-fluoro-3-methyl-, MFCD01631424, NSC51778, PubChem1397, AC1Q2FHH, ACMC-1AII0, AC1L6A9Y, KSC494S2D, SCHEMBL385343, RARECHEM AL BO 2279, CTK3J4921, KS-00000CKG, DTXSID80287615, OTAVA-BB 1312847, VOCCEVKUXUIHOI-UHFFFAOYSA-N, ZINC403351, ACN-S004197, ACT00835, JRD-1122, ANW-29359, CF-935, NSC-51778, SBB064195, 4-Fluoro-3-methylbenzoic acid, 97%, AKOS005258535, AC-3981, AS01875, CS-W007680, FS-1097, LF10868, MCULE-1740698421, QC-1779, TRA0072804, VZ29033, AJ-22048, AK-35056, AN-12462, BR-35056, SC-47806, SY007282, AB0006409, AB1005915, DB-011434, TC-118104, TL8002928, AM20040411, F0560, FT-0618483, ST24029103, ST50824453, X4497, EN300-69096, M-7118, MFCD01631424 (97+%), Z1259335898, InChI=1/C8H7FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11, qvr df c1, 6-Fluoro-m-toluic Acid, C8H7FO2, AR-1L3014, CID242828, 4-Fluoro-3-methylbenzoic acid, 97% - 25G 25g, 321-12-0, 5332-69-4,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.14g/mol
Monoisotopic Mass	154.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

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