AG00HAR2

1060802-88-1 | 6-bromo-1,2-benzoxazole

AG00HAR2

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CAS Number	1060802-88-1
Catalog Number	AG00HAR2(AGN-PC-01MHJ0)
Chemical Name	6-bromo-1,2-benzoxazole
IUPAC Name	6-bromo-1,2-benzoxazole
InChI	InChI=1S/C7H4BrNO/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H
InChI Key	QHNORIBEFNHZMQ-UHFFFAOYSA-N
MDL Number	MFCD06659634
Molecular Formula	C7H4BrNO
Molecular Weight	198.0168
SMILES	BrC2=CC1=C(C=NO1)C=C2
Synonyms	6-BROMO-1,2-BENZISOXAZOLE, 1060802-88-1, 6-bromobenzo[d]isoxazole, 6-bromo-1,2-benzoxazole, AK-40991, SCHEMBL16595870, CTK4A4330, KS-00000IEP, DTXSID30591234, ANW-50732, FCH853203, MFCD06659634, ZINC71787946, AKOS006292084, AB25994, CS-W005194, FS-3140, BR-40991, AB0034608, AJ-118526, AX8168247, TR-033947, 4CH-009245, FT-0721673, ST24029628, X8786, S-5909, C7H4BrNO,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.948g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.019g/mol
Monoisotopic Mass	196.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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