AG006CQA

938458-97-0 | 5-bromo-2-(methoxymethyl)-1,3-benzoxazole

AG006CQA

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CAS Number	938458-97-0
Catalog Number	AG006CQA(AGN-PC-0WB3DE)
Chemical Name	5-bromo-2-(methoxymethyl)-1,3-benzoxazole
IUPAC Name	5-bromo-2-(methoxymethyl)-1,3-benzoxazole
InChI	InChI=1S/C9H8BrNO2/c1-12-5-9-11-7-4-6(10)2-3-8(7)13-9/h2-4H,5H2,1H3
InChI Key	LMBMCMJRMKBCEZ-UHFFFAOYSA-N
MDL Number	MFCD09055268
Molecular Formula	C9H8BrNO2
Molecular Weight	242.0693
SMILES	N1=C(COC)OC2=CC=C(Br)C=C12
Synonyms	5-BROMO-2-(METHOXYMETHYL)-1,3-BENZOXAZOLE, 938458-97-0, 5-Bromo-2-(methoxymethyl)benzo[d]oxazole, SCHEMBL9967118, CTK5H3505, DTXSID00650827, ZX-CM003231, FCH932995, MFCD09055268, ZINC19088898, AKOS006342002, AJ-71068, Benzoxazole, 5-bromo-2-(methoxymethyl)-, Y-5098, 4009611-25G, 5-Bromo-2-(methoxymethyl)-1,3-benzoxazole, AldrichCPR,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.072g/mol
Monoisotopic Mass	240.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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