AG0036D5

871367-14-5 | 7-Bromobenzo[d]oxazol-2(3H)-one

AG0036D5

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CAS Number	871367-14-5
Catalog Number	AG0036D5(AGN-PC-00BJIV)
Chemical Name	7-Bromobenzo[d]oxazol-2(3H)-one
IUPAC Name	7-bromo-3H-1,3-benzoxazol-2-one
InChI	InChI=1S/C7H4BrNO2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key	LHTQHBZJSVUNBG-UHFFFAOYSA-N
MDL Number	MFCD11111731
Molecular Formula	C7H4BrNO2
Molecular Weight	214.0162
SMILES	BrC1=CC=CC=2NC(OC21)=O
Synonyms	7-Bromobenzo[d]oxazol-2(3H)-one, 871367-14-5, 2(3H)-Benzoxazolone, 7-bromo-, 7-bromo-3H-benzooxazol-2-one, 7-Bromobenzoxazol-2(3H)-one, SCHEMBL1431472, CTK8B6689, DTXSID10468536, 7-Bromo-2-hydroxybenzo[d]oxazole, LHTQHBZJSVUNBG-UHFFFAOYSA-N, 3760AC, ANW-54016, MFCD11111731, ZINC35803628, 7-bromo-1,3-benzoxazol-2(3H)-one, AKOS016000219, QC-3856, AJ-92131, AK-68188, SY077887, 7-BROMO-3H-1,3-BENZOXAZOL-2-ONE, AB0072794, DB-028521, TC-142761, 7-bromo-2,3-dihydro-1,3-benzoxazol-2-one, FT-0710162, ST24029906, MFCD11111731 (95%), C7H4BrNO2, 2 -BENZOXAZOLONE,7-BROMO-, CID11557558, 7-Bromo-3H-benzooxazol-2-one - 10MG 10mg,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.943g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.018g/mol
Monoisotopic Mass	212.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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