AG00C8NE

331-43-1 | 4-(4-FLUORO-3-METHYL-PHENYL)-BUTYRIC ACID

AG00C8NE

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CAS Number	331-43-1
Catalog Number	AG00C8NE(AGN-PC-0LUDRG)
Chemical Name	4-(4-FLUORO-3-METHYL-PHENYL)-BUTYRIC ACID
IUPAC Name	4-(4-fluoro-3-methylphenyl)butanoic acid
InChI	InChI=1S/C11H13FO2/c1-8-7-9(5-6-10(8)12)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChI Key	FULMKQGHCXYECN-UHFFFAOYSA-N
MDL Number	MFCD07790543
Molecular Formula	C11H13FO2
Molecular Weight	196.2181
SMILES	CC1=C(F)C=CC(CCCC(O)=O)=C1
Synonyms	331-43-1, 4-(4-fluoro-3-methylphenyl)butanoic acid, 4-(4-Fluoro-3-methyl-phenyl)-butyric acid, ASN 13704796, Benzenebutanoic acid, 4-fluoro-3-methyl-, AC1O6AM4, SCHEMBL7478503, CTK4H0010, DTXSID70424658, FULMKQGHCXYECN-UHFFFAOYSA-N, ZINC4998673, ANW-63518, MFCD07790543, AKOS000302632, MCULE-3603644626, AJ-52888, AS-40407, BBV-38294175, 4-(4-Fluoro-3-methyl-phenyl)butyric acid, 4-(4-fluoro-3 -methylphenyl)butanoic acid, AX8188133, BB0296091, TC-069505, FT-0678776, Z-1148, I04-5263, CID6497072,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.221g/mol
Monoisotopic Mass	196.09g/mol
Rotatable Bond Count	4
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number