AG003G4V

5398-27-6 | 2,6-Diiodo-4-nitroaniline

AG003G4V

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CAS Number	5398-27-6
Catalog Number	AG003G4V(AGN-PC-0JLRZ1)
Chemical Name	2,6-Diiodo-4-nitroaniline
EC Number	226-429-5
IUPAC Name	2,6-diiodo-4-nitroaniline
InChI	InChI=1S/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChI Key	YPVYMWQYENWFAT-UHFFFAOYSA-N
MDL Number	MFCD00007683
Molecular Formula	C6H4I2N2O2
Molecular Weight	389.9171
NSC Number	4606
SMILES	NC1=C(I)C=C([N+]([O-])=O)C=C1I
Synonyms	2,6-Diiodo-4-nitroaniline, 5398-27-6, 2,6-Diiodo-4-nitroaniliine, 4-nitro-2,6-diiodoaniline, 2,6-diiodo-4-nitrophenylamine, YPVYMWQYENWFAT-UHFFFAOYSA-N, Benzenamine,2,6-diiodo-4-nitro-, C6H4I2N2O2, NSC4606, EINECS 226-429-5, PubChem14873, ACMC-20ao8j, AC1L2XA7, 2,6-diiodo-4-nitro-aniline, SCHEMBL222956, CTK4J9204, DTXSID00202284, NSC-4606, ZINC3860381, 2,6-Diiodo-4-nitroaniline, 97%, Benzenamine, 2,6-diiodo-4-nitro-, (2,6-diiodo-4-nitro-phenyl)-amine, 7732AB, MFCD00007683, SBB007537, STK365756, AKOS005068295, AS05363, CM11438, FCH1320112, MCULE-8060304118, VZ22953, AJ-45993, AX8003281, DB-020216, ST2415944, TR-019074, D4736, FT-0635668, ST51058894, S01-0425, InChI=1/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H, 2,6-diiodo-4-nitrobenzenamine, CID79386, C6-H4-I2-N2-O2,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.836g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	389.919g/mol
Monoisotopic Mass	389.836g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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