4-Iodo-2-methylphenol

CAT: 0127-OR90172-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR90172-01Size:1 g

Selected

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

Quick Request Actions

CAS Number

60577-30-2

MDL Number

MFCD00075092

Purity

95%

Smiles

OC1=CC=C(C=C1C)I

Chemical Information

4-Iodo-2-methylphenol

CAS Number	60577-30-2
PubChem CID	143713
IUPAC Name	4-iodo-2-methylphenol
Molecular Formula	C7H7IO
Molecular Weight	234.03
XLogP	2.6
Topological Polar Surface Area	20.2
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=CC(=C1)I)O

InChI

InChI=1S/C7H7IO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

InChIKey

WSBDSSKIWDFOBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60577-30-2

CID: 143713

Formula: C7H7IO

MW: 234.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.03
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	233.95416
Monoisotopic Mass	233.95416
Topological Polar Surface Area	20.2 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
TRC-B448855-5G	2-Iodo-4-methylphenol
FI69953-01	4-Iodo-2-methylphenol
IHA80306-01	5-Iodo-2-methylphenol
KBA92880-01	2-Iodo-5-methylphenol
TZB47141-01	2-Iodo-3-methylphenol
VAA94571-01	4-Methanesulfonyl-2-methylphenol
FA16097-01	2-Amino-4-methylphenol
TZB45819-01	4- (Cyclopropylmethoxy) -2-methylphenol
HY-75323-01	2-Cyclohexyl-4-methylphenol
260214-01	4-Amino-2-methylphenol