2-Iodo-4-methylaniline

CAT: 0127-OR14214-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR14214-01Size:1 g

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CAS Number

29289-13-2

Synonyms

4-Amino-3-iodotoluene, 2-Iodo-p-toluidine

MDL Number

MFCD03407391

Purity

=95%

Smiles

Cc1ccc(N)c(I)c1

Chemical Information

2-Iodo-4-methylaniline

CAS Number	29289-13-2
PubChem CID	2764000
IUPAC Name	2-iodo-4-methylaniline
Molecular Formula	C7H8IN
Molecular Weight	233.05
XLogP	2
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	94

SMILES

CC1=CC(=C(C=C1)N)I

InChI

InChI=1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

InChIKey

AJTUKWIQLKKRHE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29289-13-2

CID: 2764000

Formula: C7H8IN

MW: 233.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.05
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	232.97015
Monoisotopic Mass	232.97015
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
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