4-Chloro-3-methylanisole

CAT: 0926-NAA33471Size: 100 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-NAA33471Size:100 g

Selected

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

Quick Request Actions

CAS Number

13334-71-9

MDL Number

MFCD00086700

Smiles

CC1=C (C=CC (=C1) OC) Cl

Molecular Formula

C8H9ClO

Molecular Weight

156.61 g/mol

Controlled

Chemical Information

1-Chloro-4-methoxy-2-methylbenzene

CAS Number	13334-71-9
PubChem CID	458156
IUPAC Name	1-chloro-4-methoxy-2-methylbenzene
Molecular Formula	C8H9ClO
Molecular Weight	156.61
XLogP	3.4
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CC1=C(C=CC(=C1)OC)Cl

InChI

InChI=1S/C8H9ClO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3

InChIKey

SDGMUBWPXBSKCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13334-71-9

CID: 458156

Formula: C8H9ClO

MW: 156.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.61
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	156.0341926
Monoisotopic Mass	156.0341926
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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
EHA89795	4-Bromo-2-chloro-5-methylanisole
FF68103-01	3-Fluoro-4-methylanisole
FB10592-01	3-Bromo-4-methylanisole
FC69827	5-Chloro-2-methylanisole
FI64636-01	4-Iodo-2-methylanisole
BCA69989-01	2,6-Dibromo-4-Methylanisole
CCA20069	2-Bromo-6-methylanisole
FI55613-01	5-Iodo-2-methylanisole
FI165989-01	2-Isopropyl-5-methylanisole
BNA02300-01	4-Chloro-3-[ (3-chloro-4-methylphenyl) sulfamoyl]benzoic acid