AG003M5P

33282-22-3 | 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid

AG003M5P

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CAS Number	33282-22-3
Catalog Number	AG003M5P(AGN-PC-0K0Z6A)
Chemical Name	5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
IUPAC Name	5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChI Key	CRTZVRLESCICCT-UHFFFAOYSA-N
MDL Number	MFCD06010034
Molecular Formula	C10H6ClNO3
Molecular Weight	223.6125
SMILES	O=C(C1=NOC(C2=CC=C(Cl)C=C2)=C1)O
Synonyms	5-(4-Chlorophenyl)isoxazole-3-carboxylic acid, 33282-22-3, 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid, 5-(4-Chloro-phenyl)-isoxazole-3-carboxylic acid, BAS 03395093, ACMC-1AJD0, 5-(4-chlorophenyl)-3-isoxazolecarboxylic acid, ARONIS24345, SCHEMBL892967, AC1Q748K, 3-ISOXAZOLECARBOXYLIC ACID, 5-(4-CHLOROPHENYL)-, CTK1C4417, KS-00001OLS, DTXSID00360696, CRTZVRLESCICCT-UHFFFAOYSA-N, ZINC874633, ACT08201, ALBB-009766, BBL010080, MFCD06010034, SBB006946, STK344188, AKOS000263513, AB22988, FS-5279, MCULE-8325917460, ST063535, AB0155020, TR-013951, BB 0253152, CS-0085275, FT-0679621, EN300-26243, 82C119, K-7682, 3-Isoxazolecarboxylicacid, 5-(4-chlorophenyl)-, 5-(4-Chlorophenyl)isoxazole -3-carboxylic acid, AS-871/43476098, SR-01000370531, I04-4847, J-019126, SR-01000370531-1, 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid, 97%, 5- isoxazole-3-carboxylicacid, CID1133644, 3-(4-chlorophenyl)-5-isoxazolecarboxylic acid, 338982-11-9,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.004g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.612g/mol
Monoisotopic Mass	223.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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