AG0060AF

954239-67-9 | Methyl 6-bromobenzo[d]oxazole-2-carboxylate

AG0060AF

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CAS Number	954239-67-9
Catalog Number	AG0060AF(AGN-PC-09RRSA)
Chemical Name	Methyl 6-bromobenzo[d]oxazole-2-carboxylate
IUPAC Name	methyl 6-bromo-1,3-benzoxazole-2-carboxylate
InChI	InChI=1S/C9H6BrNO3/c1-13-9(12)8-11-6-3-2-5(10)4-7(6)14-8/h2-4H,1H3
InChI Key	SLACEVLLDFPFJF-UHFFFAOYSA-N
MDL Number	MFCD09832203
Molecular Formula	C9H6BrNO3
Molecular Weight	256.0528
SMILES	COC(=O)C1=NC2=C(O1)C=C(Br)C=C2
Synonyms	Methyl 6-bromobenzo[d]oxazole-2-carboxylate, 954239-67-9, 6-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER, methyl 6-bromo-1,3-benzoxazole-2-carboxylate, AK-68501, CTK8B9990, DTXSID80696263, KS-00000P6Z, 6441AC, ANW-63823, MFCD09832203, ZINC82048575, AKOS016003738, FCH1393798, QC-8077, DS-17020, AB0070142, AJ-124757, AX8218499, DB-080259, ST2407294, TC-152568, 4CH-016953, FT-0704603, Z-5448, 832B203, C9H6BrNO3, Methyl6-bromobenzo[d]oxazole-2-carboxylate, 6-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-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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