AG003M5Q

Name: 5-(4-Chlorophenyl)isoxazole-3-propionic acid
Brand: Angene Chemical
SKU: AG003M5Q

870704-00-0 | 5-(4-Chlorophenyl)isoxazole-3-propionic acid

AG003M5Q

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CAS Number	870704-00-0
Catalog Number	AG003M5Q(AGN-PC-0WBOH1)
Chemical Name	5-(4-Chlorophenyl)isoxazole-3-propionic acid
IUPAC Name	3-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
InChI	InChI=1S/C12H10ClNO3/c13-9-3-1-8(2-4-9)11-7-10(14-17-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChI Key	RHKHSBMLUYKYIZ-UHFFFAOYSA-N
MDL Number	MFCD08276789
Molecular Formula	C12H10ClNO3
Molecular Weight	251.6657
SMILES	OC(=O)CCc1noc(c1)c1ccc(cc1)Cl
Synonyms	870704-00-0, 5-(4-Chlorophenyl)isoxazole-3-propionic acid, 3-(5-(4-Chlorophenyl)isoxazol-3-yl)propanoic acid, ACMC-20am8k, SCHEMBL20507192, CTK5F7697, DTXSID60584694, 5714AH, KM2468, MFCD08276789, ZINC12954834, RT-010086, 5-(4-Chlorophenyl)-isoxazol-3-ylpropionic acid, 5-(4-Chlorophenyl)isoxazole-3-propionic acid, 97%, 5-(4-CHLOROPHENYL)ISOXAZOLE-3-PROPANOIC ACID, 3-[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]propanoic acid, C12H10ClNO3, 5- ISOXAZOLE-3-PROPIONIC&,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.035g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.666g/mol
Monoisotopic Mass	251.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited