AG002LPB

229623-53-4 | 1,2-Benzisoxazole-6-carbonitrile, 3-amino-

AG002LPB

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CAS Number	229623-53-4
Catalog Number	AG002LPB(AGN-PC-009I8X)
Chemical Name	1,2-Benzisoxazole-6-carbonitrile, 3-amino-
IUPAC Name	3-amino-1,2-benzoxazole-6-carbonitrile
InChI	InChI=1S/C8H5N3O/c9-4-5-1-2-6-7(3-5)12-11-8(6)10/h1-3H,(H2,10,11)
InChI Key	OCJIURFDSUKEMM-UHFFFAOYSA-N
MDL Number	MFCD09907912
Molecular Formula	C8H5N3O
Molecular Weight	159.1448
SMILES	NC1=NOC2=C1C=CC(=C2)C#N
Synonyms	229623-53-4, 3-Amino-1,2-benzisoxazole-6-carbonitrile, 3-aminobenzo[d]isoxazole-6-carbonitrile, 3-amino-1,2-benzoxazole-6-carbonitrile, SCHEMBL3507599, CTK8B5972, KS-00000HFD, DTXSID60466446, OCJIURFDSUKEMM-UHFFFAOYSA-N, 3-amino-6-cyano-1,2-benzisoxazole, ANW-51541, MFCD09907912, ZINC40448352, AKOS006313353, FS-2788, 3-amino-benzo[d]isoxazole-6-carbonitrile, AK-24607, BR-24607, AB0023588, AJ-102657, TR-010739, 1,2-Benzisoxazole-6-carbonitrile, 3-amino-, 4CH-007996, FT-0646042, ST24028402, W4670, S-7191, C8H5N3O, CID11457835, 1,2-Benzisoxazole-6-carbonitrile,3-amino-, 1,2-Benzisoxazole-6-carbonitrile, 3-amino- (9CI),

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.148g/mol
Monoisotopic Mass	159.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	75.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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