4-Chloro-2-methylanisole

CAT: 0024-sc-232548Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232548Size:25 g

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CAS Number

3260-85-3

Chemical Information

4-Chloro-2-methylanisole

CAS Number	3260-85-3
PubChem CID	76748
IUPAC Name	4-chloro-1-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)Cl)OC

InChI

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

InChIKey

VDYDAUQHTVCCBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3260-85-3

CID: 76748

Formula: C8H9ClO

MW: 156.61

Interactive 3D Structure

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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