5-Iodo-2-methylaniline

CAT: 0024-sc-233384Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-233384Size:1 g

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CAS Number

83863-33-6

Chemical Information

5-Iodo-o-toluidine

CAS Number	83863-33-6
PubChem CID	522802
IUPAC Name	5-iodo-2-methylaniline
Molecular Formula	C7H8IN
Molecular Weight	233.05
XLogP	2.1
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=C(C=C(C=C1)I)N

InChI

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

InChIKey

IOEHXNCBPIBDBZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83863-33-6

CID: 522802

Formula: C7H8IN

MW: 233.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.05
XLogP3	2.1
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

Catalog	Name
sc-346970	3-iodo-2-methylaniline
sc-226690	4-Iodo-2-methylaniline
sc-342792	2-iodo-3-methylaniline
sc-346970A	3-iodo-2-methylaniline
sc-342792A	2-iodo-3-methylaniline
sc-231758	3-Iodo-4-methylaniline
sc-352427	4-iodo-N-methylaniline hydrochloride
sc-352427A	4-iodo-N-methylaniline hydrochloride
sc-206429B	2-Chloro-5-methylaniline
sc-305886	2- (Benzyloxy) -5-methylaniline