AG002OAN

24484-22-8 | Benzenepentanoic acid, 4-fluoro-

AG002OAN

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CAS Number	24484-22-8
Catalog Number	AG002OAN(AGN-PC-0KK6OL)
Chemical Name	Benzenepentanoic acid, 4-fluoro-
IUPAC Name	5-(4-fluorophenyl)pentanoic acid
InChI	InChI=1S/C11H13FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)
InChI Key	BXEFPLJKYWEEAN-UHFFFAOYSA-N
MDL Number	MFCD00800242
Molecular Formula	C11H13FO2
Molecular Weight	196.2181
SMILES	O=C(O)CCCCC1=CC=C(F)C=C1
Synonyms	5-(4-Fluorophenyl)valeric acid, 5-(4-fluorophenyl)pentanoic Acid, 24484-22-8, Benzenepentanoic acid, 4-fluoro-, Benzenepentanoic acid,4-fluoro-, 5-(4'-fluorophenyl)valeric acid, MFCD00800242, AC1MC1NT, ACMC-1CJ6R, SCHEMBL414487, CTK4F3784, DTXSID00370437, BXEFPLJKYWEEAN-UHFFFAOYSA-N, 5-(4-fluorophenyl)-pentanoic acid, KS-00003R8E, ZINC2569984, 5-(4-fluoro-phenyl)-pentanoic acid, 8236AD, BBL100703, SBB016923, STL554497, AKOS005254825, MCULE-7597451454, PS-8270, 5-(4-Fluorophenyl)valeric acid, 97%, AJ-41809, AM803576, ST079157, DB-046465, TR-011303, FT-0619653, Z-0283, I04-5356, J-015545, Z1737940711, C11H13FO2, CID2734670,

Complexity	174
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	5
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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