AG003MX4

84387-89-3 | 5-Nitrobenzo[d]isothiazol-3-amine

AG003MX4

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CAS Number	84387-89-3
Catalog Number	AG003MX4(AGN-PC-0JPLVW)
Chemical Name	5-Nitrobenzo[d]isothiazol-3-amine
EC Number	617-562-3
IUPAC Name	5-nitro-1,2-benzothiazol-3-amine
InChI	InChI=1S/C7H5N3O2S/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H,(H2,8,9)
InChI Key	LDTCWISGJYTXDC-UHFFFAOYSA-N
MDL Number	MFCD00270828
Molecular Formula	C7H5N3O2S
Molecular Weight	195.1985
SMILES	NC1=NSC2=CC=C([N+]([O-])=O)C=C12
Synonyms	3-amino-5-nitrobenzisothiazole, 84387-89-3, 3-Amino-5-nitrobenzoisothiazole, 5-Nitrobenzo[d]isothiazol-3-amine, 3-Amino-5-nitrobenz[d]isothiazole, 5-nitro-1,2-benzothiazol-3-amine, 84987-89-3, 3-Amino-5-nitrobenzisothiazole, 1,2-Benzisothiazol-3-amine, 5-nitro-, 5-nitro-1,2-benzisothiazol-3-amine, 3-amino-5-nitro-1,2-benzisothiazole, 3-amino-5-nitrobenzo(2,1)isothiazole, 5-nitrobenzo[d]isothiazole-3-ylamine, ACMC-209puh, AC1L4KBL, SCHEMBL216931, 3-amino-5-nitrobenzoisothiazol, CTK5F2265, DTXSID90233360, LDTCWISGJYTXDC-UHFFFAOYSA-N, ZINC4276628, ZX-RL000009, 5-nitrobenzo[d]isothiazol-3-ylamine, ANW-37767, CCG-52645, MFCD00270828, SBB071456, 3-Amino-5-nitrobenzisothiazole, 97%, AKOS005254836, 1,2-Benzisothiazol-3-amine,5-nitro-, 3-amino-5-nitro-1,2-benzoisothiazole, AS-9199, CHM0027417, FCH1114774, MCULE-2244922520, RP04009, VT10227, KS-000015U2, AC-11731, AJ-50039, CC-14155, OR110001, SC-32263, ST094764, AX8004446, DB-022247, DB-026046, ST2418838, TC-126512, CS-0063880, FT-0620680, FT-0641987, A840770, J-517851, SR-01000641864-1, I14-19863, InChI=1/C7H5N3O2S/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H,(H2,8,9, C7H5N3O2S, CID158638, ZINC04276628, A1562, 14346-19-1, N/A,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.196g/mol
Monoisotopic Mass	195.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number