AG003M3B

1083224-23-0 | 5-(2,4-Difluorophenyl)isoxazole-3-carboxylic Acid

AG003M3B

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CAS Number	1083224-23-0
Catalog Number	AG003M3B(AGN-PC-05FKUB)
Chemical Name	5-(2,4-Difluorophenyl)isoxazole-3-carboxylic Acid
IUPAC Name	5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChI Key	FQAFQXBZWSTPRH-UHFFFAOYSA-N
MDL Number	MFCD07377120
Molecular Formula	C10H5F2NO3
Molecular Weight	225.1484
SMILES	O=C(C1=NOC(C2=CC=C(F)C=C2F)=C1)O
Synonyms	5-(2,4-difluorophenyl)isoxazole-3-carboxylic acid, 1083224-23-0, 5-(2,4-difluorophenyl)-3-Isoxazolecarboxylic acid, SCHEMBL11902510, FQAFQXBZWSTPRH-UHFFFAOYSA-N, KS-00000CQ2, 6231AJ, MFCD07377120, ZINC20444822, AKOS002658340, MCULE-4679222295, TRA0092799, AJ-77714, AK-83946, AS-31990, DA-18218, SY015190, AX8269074, TC-307742, CS-0089776, FT-0717963, Z-4302, MFCD07377120 (97+%), 5-(2,4-Difluorophenyl)isoxazole-3-carboxylicAcid, 5-(2,4-difluoro-phenyl)-isoxazole-3-carboxylic acid, 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid, F2135-0584, C10H5F2NO3, 14205-46-0,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.024g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.151g/mol
Monoisotopic Mass	225.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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