AG008Z16

1092351-94-4 | 4-Oxazolecarboxylic acid, 2-bromo-, methyl ester

AG008Z16

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CAS Number	1092351-94-4
Catalog Number	AG008Z16(AGN-PC-05SPKW)
Chemical Name	4-Oxazolecarboxylic acid, 2-bromo-, methyl ester
IUPAC Name	methyl 2-bromo-1,3-oxazole-4-carboxylate
InChI	InChI=1S/C5H4BrNO3/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3
InChI Key	IPOIRZXJSNVZTP-UHFFFAOYSA-N
MDL Number	MFCD11109414
Molecular Formula	C5H4BrNO3
Molecular Weight	205.9942
SMILES	O=C(C1=COC(Br)=N1)OC
Synonyms	Methyl 2-bromo-4-oxazolecarboxylate, 1092351-94-4, Methyl 2-bromooxazole-4-carboxylate, methyl 2-bromo-1,3-oxazole-4-carboxylate, 2-Bromo-oxazole-4-carboxylic acid methyl ester, 4-Oxazolecarboxylic acid, 2-bromo-, methyl ester, AK-41107, 2-Bromooxazole-4-carboxylic acid methyl ester, CTK6J1105, DTXSID70653320, WT794, ANW-44168, MFCD11109414, ZINC30678079, AKOS015852117, CM-1587, DS-2086, FCH1402526, MP-1039, AJ-83994, SC-48970, ACM1092351944, AB0037851, AX8169930, TR-039191, 4CH-009334, CS-0042753, FT-0740008, ST24030938, Y5183, 1092351-94-4 methyl 2-bromooxazole-4-carboxylate, I14-11504, C5H4BrNO3, ACN-001944, methyl 2-bromooxazole-4-carboxylate, 95% - 1G 1g,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.937g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.995g/mol
Monoisotopic Mass	204.937g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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