3-Iodotoluene

CAT: 0024-sc-231775Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-231775Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

625-95-6

Chemical Information

3-Iodotoluene

CAS Number	625-95-6
PubChem CID	12268
IUPAC Name	1-iodo-3-methylbenzene
Molecular Formula	C7H7I
Molecular Weight	218.03
XLogP	3.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	70

SMILES

CC1=CC(=CC=C1)I

InChI

InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChIKey

VLCPISYURGTGLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 625-95-6

CID: 12268

Formula: C7H7I

MW: 218.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.03
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	217.95925
Monoisotopic Mass	217.95925
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.8
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