4-Bromo-2-methylanisole

CAT: 0024-sc-226523Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226523Size:25 g

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CAS Number

14804-31-0

Chemical Information

4-Bromo-1-methoxy-2-methylbenzene

CAS Number	14804-31-0
PubChem CID	608315
IUPAC Name	4-bromo-1-methoxy-2-methylbenzene
Molecular Formula	C8H9BrO
Molecular Weight	201.06
XLogP	3.5
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)Br)OC

InChI

InChI=1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3

InChIKey

UDLRGQOHGYWLCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14804-31-0

CID: 608315

Formula: C8H9BrO

MW: 201.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.06
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	199.98368
Monoisotopic Mass	199.98368
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