AG0089O4

885273-52-9 | 3-(3-Fluorophenyl)-isoxazole-5-carbaldehyde

AG0089O4

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CAS Number	885273-52-9
Catalog Number	AG0089O4(AGN-PC-07YK6C)
Chemical Name	3-(3-Fluorophenyl)-isoxazole-5-carbaldehyde
IUPAC Name	3-(3-fluorophenyl)-1,2-oxazole-5-carbaldehyde
InChI	InChI=1S/C10H6FNO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)14-12-10/h1-6H
InChI Key	FMVCEZDURIQSCF-UHFFFAOYSA-N
MDL Number	MFCD06738504
Molecular Formula	C10H6FNO2
Molecular Weight	191.1585
SMILES	FC1=CC=CC(=C1)C1=NOC(C=O)=C1
Synonyms	885273-52-9, 3-(3-Fluorophenyl)isoxazole-5-carbaldehyde, 3-(3-FLUORO-PHENYL)-ISOXAZOLE-5-CARBALDEHYDE, 3-(3-FLUOROPHENYL)-5-ISOXAZOLECARBOXALDEHYDE, 3-(3-FLUOROPHENYL)-1,2-OXAZOLE-5-CARBALDEHYDE, SCHEMBL20507167, CTK5G0344, DTXSID50676411, ZX-RL005960, 4202AC, ANW-64119, CF-078, FCH832979, KM2629, MFCD06738504, ZINC64033754, AKOS006230333, AB27258, AK-50206, PC200588, AJ-114664, AX8025395, DB-077525, TC-062071, 3-(3-fluorophenyl)-isoxazole-5-carbaldehyde, FT-0742312, 5-Isoxazolecarboxaldehyde,3-(3-fluorophenyl)-, S14-1818, 3-(3-Fluorophenyl)isoxazole-5-carbaldehyde, AldrichCPR, C10H6FNO2, ACN-030237,

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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