AG008LMO

808740-52-5 | 3-(2-Fluorophenyl)isoxazole-5-carbaldehyde

AG008LMO

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CAS Number	808740-52-5
Catalog Number	AG008LMO(AGN-PC-07YK6D)
Chemical Name	3-(2-Fluorophenyl)isoxazole-5-carbaldehyde
IUPAC Name	3-(2-fluorophenyl)-1,2-oxazole-5-carbaldehyde
InChI	InChI=1S/C10H6FNO2/c11-9-4-2-1-3-8(9)10-5-7(6-13)14-12-10/h1-6H
InChI Key	XKEKTJAIKFOVIQ-UHFFFAOYSA-N
MDL Number	MFCD06738517
Molecular Formula	C10H6FNO2
Molecular Weight	191.1585
SMILES	FC1=C(C=CC=C1)C1=NOC(C=O)=C1
Synonyms	808740-52-5, 3-(2-Fluorophenyl)isoxazole-5-carbaldehyde, 3-(2-FLUORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE, 3-(2-FLUOROPHENYL)-5-ISOXAZOLECARBOXALDEHYDE, 3-(2-FLUOROPHENYL)-1,2-OXAZOLE-5-CARBALDEHYDE, SCHEMBL4278985, CTK8B9969, DTXSID10676412, XKEKTJAIKFOVIQ-UHFFFAOYSA-N, ZX-RL005989, 2575AC, ANW-63787, CF-073, FCH833113, KM2048, MFCD06738517, ZINC58521365, AKOS006228923, AB27293, AK-68669, AS-42968, PC200587, AJ-113152, AX8025372, DB-075711, TC-062072, FT-0746702, S14-2359, 3-(2-Fluorophenyl)isoxazole-5-carbaldehyde, AldrichCPR, C10H6FNO2, 3- -ISOXAZOLE-5-CARBALDEHYDE, ACN-030217,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.161g/mol
Monoisotopic Mass	191.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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