AG0060AE

954239-74-8 | Methyl 4-bromobenzo[d]oxazole-2-carboxylate

AG0060AE

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CAS Number	954239-74-8
Catalog Number	AG0060AE(AGN-PC-09RRFA)
Chemical Name	Methyl 4-bromobenzo[d]oxazole-2-carboxylate
IUPAC Name	methyl 4-bromo-1,3-benzoxazole-2-carboxylate
InChI	InChI=1S/C9H6BrNO3/c1-13-9(12)8-11-7-5(10)3-2-4-6(7)14-8/h2-4H,1H3
InChI Key	GOEFVKGKRZQHCG-UHFFFAOYSA-N
MDL Number	MFCD09832206
Molecular Formula	C9H6BrNO3
Molecular Weight	256.0528
SMILES	O=C(C1=NC2=C(Br)C=CC=C2O1)OC
Synonyms	Methyl 4-bromobenzo[d]oxazole-2-carboxylate, 954239-74-8, 4-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER, methyl 4-bromo-1,3-benzoxazole-2-carboxylate, CTK5H7746, DTXSID10696099, WT698, ANW-44395, MFCD09832206, ZINC71864110, AKOS015999588, FCH1393801, AS-42017, AJ-118873, AX8212262, DB-080261, TC-133140, FT-0736947, ST24025355, X5545, Q-9467, 954239-74-8 methyl 4-bromobenzo[d]oxazole-2-carboxylate, C9H6BrNO3, ACN-030268, 2-Benzoxazolecarboxylic acid, 4-bromo-, methyl ester, 4-BROMO-BENZOOXAZOLE-2-CARBOXYLICACIDMETHYLESTER,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.953g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.055g/mol
Monoisotopic Mass	254.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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