AG00D7FU

400715-69-7 | Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate

AG00D7FU

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CAS Number	400715-69-7
Catalog Number	AG00D7FU(AGN-PC-0NLBJ9)
Chemical Name	Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate
IUPAC Name	ethyl 5-(3-chlorophenyl)-1,3-oxazole-2-carboxylate
InChI	InChI=1S/C12H10ClNO3/c1-2-16-12(15)11-14-7-10(17-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChI Key	VAKMSXIMRSCPQU-UHFFFAOYSA-N
MDL Number	MFCD27952698
Molecular Formula	C12H10ClNO3
Molecular Weight	251.6657
SMILES	O=C(C1=NC=C(C2=CC=CC(Cl)=C2)O1)OCC
Synonyms	Ethyl 5-(3-chlorophenyl)oxazole-2-carboxylate, 400715-69-7, AK148058, SCHEMBL6494800, VAKMSXIMRSCPQU-UHFFFAOYSA-N, KS-00000S5T, MFCD27952698, ZINC98178286, AKOS022188001, DS-8833, AJ-139391, AX8285423, ethyl 5-(3chlorophenyl)-1,3-oxazole-2-carboxylate, ethyl 5-(3-chlorophenyl)-1,3-oxazole-2-carboxylate,

Complexity	275
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	0
Isotope Atom Count	0
Molecular Weight	251.666g/mol
Monoisotopic Mass	251.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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