Benzyloxymethyl bromide

CAT: 0926-SAA69016-01Size: 0.025 gDry Ice: NoHazardous: No

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CAT#:0926-SAA69016-01Size:0.025 g

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CAS Number

17690-16-3

MDL Number

MFCD25963253

Smiles

C1=CC=C (C=C1) COCBr

Molecular Formula

C8H9BrO

Molecular Weight

201.06 g/mol

Controlled

Chemical Information

[(Bromomethoxy)methyl]benzene

CAS Number	17690-16-3
PubChem CID	10932493
IUPAC Name	bromomethoxymethylbenzene
Molecular Formula	C8H9BrO
Molecular Weight	201.06
XLogP	2.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	79

SMILES

C1=CC=C(C=C1)COCBr

InChI

InChI=1S/C8H9BrO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

QAWLNTIPTFOWKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17690-16-3

CID: 10932493

Formula: C8H9BrO

MW: 201.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.06
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	199.98368
Monoisotopic Mass	199.98368
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	79.3
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
FB144009-01	(1S,2R) -2- (Benzyloxymethyl) -1-hydroxy-3-cyclopentene
IR178405-01	Rocuronium Bromide EP Impurity F Bromide
FI44992-01	Ipratropium bromide
XC184310-01	Cholesteryl bromide
FD61447-01	Decamethonium bromide
FD33733-01	Dodecylpyridinium bromide
FD33327-01	Domiphen bromide
FC152009-01	Cimetropium bromide
FC13320-01	Cetyltrimethylammonium bromide
FC03116-01	Cyclobutyl bromide

Catalog	Name
sc-283578	3- (Benzyloxymethyl) cyclobutanone
OR8169	5- (Benzyloxymethyl) uracil
sc-481641	6-Benzyloxymethyl-4-hydroxypyrimidine
OR317107	3- (Benzyloxymethyl) cyclobutanecarboxylic acid
231428-01	3- (Benzyloxymethyl) Cyclobutanone 98+% (GC)
458280-01	N-Boc-3- (benzyloxymethyl) azetidine
sc-481938	4-Benzyloxymethyl-6-chloro-pyrimidine
OR1031460-01	Trans-3- (Benzyloxymethyl) cyclobutyl4-nitrobenzoate
sc-323361	5- (Benzyloxymethyl) -6-methyl uracil
MBS6078201-01	1,3-Di(benzyloxymethyl)-5-fluorouracil