AG001LPK

149437-76-3 | Benzenepentanoic acid, 4-fluoro-δ-oxo-

AG001LPK

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CAS Number	149437-76-3
Catalog Number	AG001LPK(AGN-PC-0JUYXY)
Chemical Name	Benzenepentanoic acid, 4-fluoro-δ-oxo-
IUPAC Name	5-(4-fluorophenyl)-5-oxopentanoic acid
InChI	InChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)
InChI Key	ZBQROUOOMAMCQW-UHFFFAOYSA-N
MDL Number	MFCD00667222
Molecular Formula	C11H11FO3
Molecular Weight	210.2016
SMILES	OC(=O)CCCC(=O)C1=CC=C(F)C=C1
Synonyms	4-(4-Fluorobenzoyl)butyric Acid, 149437-76-3, 5-(4-fluorophenyl)-5-oxopentanoic acid, 4-(4-Fluorobenzoyl)butyricacid, 5-(4-Fluorophenyl)-5-oxovaleric Acid, 4-fluorobenzoylbutyric acid, 5-(4'-Fluorophenyl)-5-oxopentanoic acid, 4-(4-Fluorobenzoyl)butanoic acid, 4-(4-fluorobenzoyl)-butyric acid, 4-fluorophenyl-5-oxopentanoic acid, 4-(4'-fluorobenzoyl) butyric acid, MFCD00667222, 4-(4-fluorobenzoyl)-1-butanoic acid, 5-(4-Fluoro-phenyl)-5-oxo-pentanoic acid, FBBA, AC1LENGO, PubChem13246, ACMC-209d2k, p-Fluorobenzoylbutanoic acid, AC1Q75BX, Oprea1_166432, KSC489Q0D, 4-fluoro benzoyl butyric acid, SCHEMBL296337, CTK3I9801, KS-00000CSK, ZINC58260, DTXSID40351048, 4-(4'-Fluorophenyl)butyric acid, OTAVA-BB 1043537, ZBQROUOOMAMCQW-UHFFFAOYSA-N, 4-(4-fluoro benzoyl) butyric acid, 4-(4-fluoro-benzoyl)-butyric acid, ACT03568, BCP18926, ANW-21210, SBB000492, AKOS005254813, 4-Fluoro-delta-oxobenzenepentanoic Acid, AS01280, CF-1261, CS-W015119, MCULE-8564584175, PS-8016, RP26559, RTR-006052, TRA0028428, 5-(p-fluorophenyl)-5-oxo-pentanoic acid, AC-11387, AJ-09853, AK-54794, P838, SC-26696, SY019248, AB0005229, Benzenepentanoic acid, 4-fluoro-delta-oxo-, TL8006933, TR-006052, AM20061151, F0476, FT-0604776, ST24029278, ST50308822, EN300-37191, C-4748, MFCD00667222 (97+%), 437F763, A1-00090, I01-1099, Q-200520, Z381429060, 5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1H-tetrazole, 4- BUTYRICACID, C11H11FO3, 4-fluoro-gamma-oxo-benzenepentanoic acid, CID689096, ACN-038065, 5-(4-fluorophenyl)-5-oxo-pentanoic Acid, 4-(4-Fluorobenzoyl)butyric acid, 97% - 1G 1g, 3382-63-6,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.204g/mol
Monoisotopic Mass	210.069g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number