AG000R3T

1260751-81-2 | 7-bromo-1,2-benzoxazole

AG000R3T

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CAS Number	1260751-81-2
Catalog Number	AG000R3T(AGN-PC-0ALXMZ)
Chemical Name	7-bromo-1,2-benzoxazole
IUPAC Name	7-bromo-1,2-benzoxazole
InChI	InChI=1S/C7H4BrNO/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChI Key	VPBZAQSRLLWRSX-UHFFFAOYSA-N
MDL Number	MFCD11520894
Molecular Formula	C7H4BrNO
Molecular Weight	198.0168
SMILES	BrC1=CC=CC2=C1ON=C2
Synonyms	7-Bromobenzo[d]isoxazole, 1260751-81-2, 7-bromo-1,2-benzoxazole, 7-bromo-1,2-benzisoxazole, 1,2-Benzisoxazole, 7-bromo-, CTK8C1582, DTXSID00717247, 4966AA, ANW-66922, MFCD11520894, ZINC71790838, AKOS006324088, NE29244, AS-34107, AJ-118647, TC-155667, CS-0054119, 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	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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