AG002C88

Name: 5-(3-Nitrophenyl)-3-isoxazolecarboxylic acid
Brand: Angene Chemical
SKU: AG002C88

199601-80-4 | 5-(3-Nitrophenyl)-3-isoxazolecarboxylic acid

AG002C88

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CAS Number	199601-80-4
Catalog Number	AG002C88(AGN-PC-0N5AUB)
Chemical Name	5-(3-Nitrophenyl)-3-isoxazolecarboxylic acid
IUPAC Name	5-(3-nitrophenyl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C10H6N2O5/c13-10(14)8-5-9(17-11-8)6-2-1-3-7(4-6)12(15)16/h1-5H,(H,13,14)
InChI Key	UADDGBIOHFWIDV-UHFFFAOYSA-N
MDL Number	MFCD11217082
Molecular Formula	C10H6N2O5
Molecular Weight	234.1650
SMILES	O=C(C1=NOC(C2=CC=CC([N+]([O-])=O)=C2)=C1)O
Synonyms	5-(3-Nitrophenyl)isoxazole-3-carboxylic acid, 199601-80-4, CHEMBL342004, 5-(3-nitrophenyl)-3-Isoxazolecarboxylic acid, 3-Isoxazolecarboxylic acid, 5-(3-nitrophenyl)-, 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylic Acid, SCHEMBL1178703, KS-00000DKF, 6252AJ, BDBM50061908, MFCD11217082, ZINC13776362, AKOS002657965, TRA0040133, AJ-64383, AS-32096, DA-18226, SY015153, AX8268593, BC4718520, TC-307773, 5-(3-Nitrophenyl)isoxazole-3-carboxylicAcid, FT-0704468, Z-4274, 5-(3-Nitro-phenyl)-isoxazole-3-carboxylic acid, MFCD11217082 (97+%), C10H6N2O5, CID10489845, 13438-65-8,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.028g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.167g/mol
Monoisotopic Mass	234.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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