4-Bromobenzyl methyl ether

CAT: 0024-sc-226545Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226545Size:1 g

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CAS Number

1515-88-4

Chemical Information

4-Bromobenzyl methyl ether

CAS Number	1515-88-4
PubChem CID	12662296
IUPAC Name	1-bromo-4-(methoxymethyl)benzene
Molecular Formula	C8H9BrO
Molecular Weight	201.06
XLogP	2.3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	87

SMILES

COCC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H9BrO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3

InChIKey

JIMMXGXOJQXOQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1515-88-4

CID: 12662296

Formula: C8H9BrO

MW: 201.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.06
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	199.98368
Monoisotopic Mass	199.98368
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.3
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
sc-254941	Allyl 2-bromobenzyl ether
sc-315548	4-{[ (4-Bromobenzyl) amino]methyl}benzoic acid
sc-485786	(4-Methoxybenzyl) Methyl Ether
sc-460208	Simvastatin 4′-Methyl Ether
sc-494974	2-{[ (3-Bromobenzyl) amino]methyl}-4-chlorophenol
sc-226544	4-Bromobenzyl mercaptan
sc-232503	4-Bromobenzyl isocyanate
sc-261325A	4- (4-Bromobenzyl) morpholine
sc-261849	(4-Bromobenzyl) dimethylamine
sc-238789	4-Bromobenzyl alcohol

Catalog	Name
IS27833-01	Simvastatin 4'-methyl ether
TRC-S485045-50MG	Simvastatin 4’-Methyl Ether
FD65356	Dihydrogenistein 4'-methyl ether
FT65911-01	Tricin 4'-methyl ether
abx183610-01	4-Hydroxyphenylethyl methyl ether
XA161647-01	Alpinumisoflavone-4'-methyl ether
GTR19178175	Ochnaflavone 4'-methyl ether
T9455-01	4-hydroxyestrone-4-methyl ether
GTR19227075-01	4,4'-Dihydroxychalcone, 4-Methyl ether
JNB41717-01	4-Hydroxyalternariol 9-methyl ether