AG0086V4

89793-82-8 | 3-Amino-5-nitro-1,2-benzisoxazole

AG0086V4

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CAS Number	89793-82-8
Catalog Number	AG0086V4(AGN-PC-0N8P7F)
Chemical Name	3-Amino-5-nitro-1,2-benzisoxazole
IUPAC Name	5-nitro-1,2-benzoxazol-3-amine
InChI	InChI=1S/C7H5N3O3/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H,(H2,8,9)
InChI Key	KIQGBLRPXXDRBZ-UHFFFAOYSA-N
MDL Number	MFCD02112721
Molecular Formula	C7H5N3O3
Molecular Weight	179.1329
SMILES	NC1=NOC2=C1C=C(C=C2)[N+](=O)[O-]
Synonyms	3-Amino-5-nitro-1,2-benzisoxazole, 89793-82-8, 5-nitrobenzo[d]isoxazol-3-amine, 5-nitro-1,2-benzoxazol-3-amine, SCHEMBL6962602, CTK8B5969, DTXSID80443350, 5-Nitro-benzo[d]isoxazol-3-ylamine, 5-Nitro-1,2-benzisoxazole-3-amine, ANW-51519, MFCD02112721, ZINC39168521, 1,2-Benzisoxazol-3-amine,5-nitro-, AKOS006277721, DS-0422, KS-000024K5, AC-27283, AJ-98824, AK-24982, BR-24982, CJ-19802, SC-87691, AB0027427, ST2410455, TR-028171, 4CH-007998, CS-0085342, FT-0646687, W9258, S-6781, Z-9177, C7H5N3O3, CID10678907,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.033g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.135g/mol
Monoisotopic Mass	179.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	97.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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