2,4-Diiodoaniline

CAT: 0127-OR1030144-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1030144-01Size:250 mg

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CAS Number

533-70-0

Synonyms

2,4-diiodoaniline

Purity

99%

Smiles

C1=CC(=C(C=C1I)I)N

Chemical Information

2,4-Diiodoaniline

CAS Number	533-70-0
PubChem CID	350250
IUPAC Name	2,4-diiodoaniline
Molecular Formula	C6H5I2N
Molecular Weight	344.92
XLogP	2.5
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C=C1I)I)N

InChI

InChI=1S/C6H5I2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

InChIKey

YJWGKXIQTRYZSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 533-70-0

CID: 350250

Formula: C6H5I2N

MW: 344.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.92
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	344.85114
Monoisotopic Mass	344.85114
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR16464	4-Bromo-2,6-diiodoaniline
OR1099967	2-chloro-4,6-diiodoaniline
OR1099966-01	2-bromo-4,6-diiodoaniline
OR1098687	4-chloro-2,6-diiodoaniline
PC210036-01	2-Fluoro-4,6-diiodoaniline
OR45181-01	4- (tert-Butyl) -2,6-diiodoaniline
OR400294	6-Bromo-2,3-diiodoaniline
OR400292	6-Chloro-2,3-diiodoaniline
OR97026-01	3,5-diiodoaniline
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate

Catalog	Name
JH327855	2,4-Diiodoaniline
sc-310987	4-Bromo-2,6-diiodoaniline
PCA08553-01	2,5-Diiodoaniline
JH268966	3,5-Diiodoaniline
DXC60749-01	3,5-Diiodoaniline hydrochloride
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
T3000	2,2’,4,4’-Tetranitrobenzophenone
CAA43779-01	2,2',4,4'-Tetrachlorobiphenyl
MBS654165-01	2,2',4,4'-Tetranitrodiphenylmethane
sc-474043	2,2,4,4-Tetramethyloctane