AG008QZW

110311-45-0 | (S)-2-(4-Fluorophenyl) 3-Methylbutyric Acid

AG008QZW

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CAS Number	110311-45-0
Catalog Number	AG008QZW(AGN-PC-0P0HSX)
Chemical Name	(S)-2-(4-Fluorophenyl) 3-Methylbutyric Acid
IUPAC Name	(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
InChI	InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m1/s1
InChI Key	YBQLHBYGMUXCEW-SNVBAGLBSA-N
MDL Number	MFCD00792491
Molecular Formula	C11H13FO2
Molecular Weight	196.2181
SMILES	CC(C)[C@H](C1=CC=C(F)C=C1)C(O)=O
Synonyms	(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid, 110311-45-0, [R]-(-)-2-(p-fluorophenyl)-3-methylbutyric acid, Benzeneacetic acid, 4-fluoro-a-(1-methylethyl)-, (R)-, SCHEMBL8352670, CTK4A6849, YBQLHBYGMUXCEW-SNVBAGLBSA-N, ZINC2574365, MFCD14586293, AKOS027321139, AJ-42254, (R)-2-(4-fluorophenyl)-3-methylbutyric acid, CID10888841, 2-(4-fluorophenyl)-3-methyl-butanoic Acid, (S)-2-(4-FLUOROPHENYL)-3-METHYLBUTYRIC ACID,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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