4- (2-Bromoallyl) -2-methylanisole

CAT: 0127-OR01951Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

951888-32-7

Synonyms

2-Bromo-3- (4-methoxy-3-methylphenyl) prop-1-ene

MDL Number

MFCD09801081

Smiles

COc1ccc (CC (=C) Br) cc1C

Chemical Information

2-Bromo-3-(4-methoxy-3-methylphenyl)-1-propene

CAS Number	951888-32-7
PubChem CID	24721760
IUPAC Name	4-(2-bromoprop-2-enyl)-1-methoxy-2-methylbenzene
Molecular Formula	C11H13BrO
Molecular Weight	241.12
XLogP	3.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	179

SMILES

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

InChI

InChI=1S/C11H13BrO/c1-8-6-10(7-9(2)12)4-5-11(8)13-3/h4-6H,2,7H2,1,3H3

InChIKey

UIIOPBQLGFLCGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 951888-32-7

CID: 24721760

Formula: C11H13BrO

MW: 241.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.12
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	240.01498
Monoisotopic Mass	240.01498
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
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
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PC2429	4- (2-Bromoallyl) -2-fluorotoluene
PC2424	4- (2-Bromoallyl) -2-fluoroanisole
OR23844	2-bromoallyl thiomorpholine-4-carbodithioate
OR1027253-01	(2-Bromoallyl) Trimethylsilane
OR01948	4-Allyl-2-methylanisole
OR23840	2-bromoallyl morpholine-4-carbodithioate

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