AG004X5M

837392-65-1 | 5-Bromobenzo[d]isoxazole

AG004X5M

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CAS Number	837392-65-1
Catalog Number	AG004X5M(AGN-PC-00JM07)
Chemical Name	5-Bromobenzo[d]isoxazole
IUPAC Name	5-bromo-1,2-benzoxazole
InChI	InChI=1S/C7H4BrNO/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H
InChI Key	XAGKLUNARLSYDT-UHFFFAOYSA-N
MDL Number	MFCD22393462
Molecular Formula	C7H4BrNO
Molecular Weight	198.0168
SMILES	Brc1cc2c(cc1)onc2
Synonyms	5-bromobenzo[d]isoxazole, 5-Bromo-1,2-benzisoxazole, 837392-65-1, 5-bromo-1,2-benzoxazole, 1,2-Benzisoxazole,5-bromo-, AK-24397, 5-Bromo-benzo[d]isoxazole, 5-Bromo-1,2-benzoisoxazole, SCHEMBL3531118, CTK5F1058, DTXSID00475613, XAGKLUNARLSYDT-UHFFFAOYSA-N, ANW-50965, FCH853212, MFCD06659644, ZINC40448500, AKOS006292610, 1,2-BENZISOXAZOLE, 5-BROMO-, AB26012, CS-W009036, FS-2761, BR-24397, CJ-20154, AB0026920, AJ-102777, AX8158799, TR-026004, 4CH-008082, FT-0650395, ST24029418, W8676, S-5606, C7H4BrNO, CID12003029,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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