AG000OSU

1258283-17-8 | Ethyl 4-bromo-1,3-oxazole-5-carboxylate

AG000OSU

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CAS Number	1258283-17-8
Catalog Number	AG000OSU(AGN-PC-0BS6NK)
Chemical Name	Ethyl 4-bromo-1,3-oxazole-5-carboxylate
IUPAC Name	ethyl 4-bromo-1,3-oxazole-5-carboxylate
InChI	InChI=1S/C6H6BrNO3/c1-2-10-6(9)4-5(7)8-3-11-4/h3H,2H2,1H3
InChI Key	ARPHYGHAUCJWCC-UHFFFAOYSA-N
MDL Number	MFCD20260216
Molecular Formula	C6H6BrNO3
Molecular Weight	220.0207
SMILES	O=C(C1=C(Br)N=CO1)OCC
Synonyms	Ethyl 4-bromooxazole-5-carboxylate, 1258283-17-8, ethyl 4-bromo-1,3-oxazole-5-carboxylate, 5-Oxazolecarboxylic acid, 4-bromo-, ethyl ester, SCHEMBL3714376, CTK8B5534, KS-00000PIB, DTXSID60720959, ANW-49074, MFCD20260216, ZINC72482086, AKOS015920306, CS-W005725, GS-3967, AK-49036, BR-49036, SC-96306, AJ-121153, TC-137819, 4CH-011192, ST24024937, X9645, S-7120, C6H6BrNO3, 4-bromooxazole-5-carboxylic acid ethyl ester,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.953g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.022g/mol
Monoisotopic Mass	218.953g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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