AG00DL3H

53983-15-6 | Ethyl 5-amino-4-phenylisoxazole-3-carboxylate

AG00DL3H

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CAS Number	53983-15-6
Catalog Number	AG00DL3H(AGN-PC-0LK9H8)
Chemical Name	Ethyl 5-amino-4-phenylisoxazole-3-carboxylate
IUPAC Name	ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate
InChI	InChI=1S/C12H12N2O3/c1-2-16-12(15)10-9(11(13)17-14-10)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3
InChI Key	VSCAOMUSYLNUIK-UHFFFAOYSA-N
MDL Number	MFCD06199347
Molecular Formula	C12H12N2O3
Molecular Weight	232.2353
SMILES	O=C(C1=NOC(N)=C1C2=CC=CC=C2)OCC
Synonyms	ethyl 5-amino-4-phenylisoxazole-3-carboxylate, 53983-15-6, ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate, MMV1236379, ethyl 5-amino-4-phenyl-3-isoxazolecarboxylate, AC1NLRBD, AC1Q34G4, SCHEMBL9585523, CHEMBL3431223, CTK4J9205, DTXSID60407192, TCMDC-143394, VSCAOMUSYLNUIK-UHFFFAOYSA-N, HMS1744O18, ACT08385, KS-00000G7J, ZINC4207438, MFCD06199347, AKOS009020669, MCULE-9124858291, NE33044, AK398421, DS-14444, DB-032086, CS-0061610, FT-0768454, EN300-14214, Ethyl 5-amino-4-phenyl isoxazole -3-carboxylate, SR-01000074473, SR-01000074473-1, Z99599672, 5-amino-4-phenyl-isoxazole-3-carboxylic acid ethyl ester, ZINC04207438, CID4962898, Ethyl5-amino-4-phenylisoxazole-3-carboxylate,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.085g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.239g/mol
Monoisotopic Mass	232.085g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

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