AG003DJZ

65558-69-2 | 1,3-Diiminobenz[F]isoindoline

AG003DJZ

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CAS Number	65558-69-2
Catalog Number	AG003DJZ(AGN-PC-0JPS16)
Chemical Name	1,3-Diiminobenz[F]isoindoline
IUPAC Name	3-iminobenzo[f]isoindol-1-amine
InChI	InChI=1S/C12H9N3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H,(H3,13,14,15)
InChI Key	JAWNWEKHDFBPSG-UHFFFAOYSA-N
MDL Number	MFCD00059067
Molecular Formula	C12H9N3
Molecular Weight	195.2200
SMILES	N=C(C1=C2C=C(C=CC=C3)C3=C1)NC2=N
UNII	W6B17HR0NG
Synonyms	1,3-Diiminobenz[f]isoindoline, 65558-69-2, 1,3-Diiminobenz(f)isoindoline, UNII-W6B17HR0NG, 1H-Benz[f]isoindol-3-amine, 1-imino-, 1H-Benzo[f]isoindole-1,3(2H)-diimine, W6B17HR0NG, 3-iminobenzo[f]isoindol-1-amine, 1,3-Diiminobenz (f)-isoindoline, JAWNWEKHDFBPSG-UHFFFAOYSA-N, MFCD00059067, 1H-Benz(f)isoindol-3-amine, 1-imino-, NCGC00090942-03, 1-iminobenzo[f]isoindole-3-ylamine, NCGC00090942-01, AC1L57XM, ACMC-1B7W2, DSSTox_CID_12751, DSSTox_RID_79036, DSSTox_GSID_32751, 1,3-diiminobenzo(f)isoindoline, SCHEMBL3218707, 1,3-diiminobenz(f]-isoindoline, CHEMBL1492884, DTXSID3032751, CTK5C2873, 1,3-diiminobenz (f) isoindoline, ZINC2522737, Tox21_400043, ANW-35066, SBB000342, 1,3-Diiminobenz[f]isoindoline, 95%, 1-imino-1H-benzo[f]isoindol-3-amine, AKOS006227669, AKOS015854073, 1H-Benz[f]isoindol-3-amine,1-imino-, ACN-049327, MCULE-3707119248, NCGC00090942-02, NCGC00090942-04, NCGC00248520-01, 1H-Benz[f]isoindole-1,3(2H,3H)-diimine, 1H-Benzo[f]isoindole-1,3(2H)-diimine #, CAS-65558-69-2, LS-195552, TR-022299, D2009, FT-0691055, ST51007085, I01-18754, C12-H9-N3, CID171660,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.08g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.225g/mol
Monoisotopic Mass	195.08g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number