3-Methoxybenzyl bromide

CAT: 0127-OR6438-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR6438-01Size:5 g

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CAS Number

874-98-6

Synonyms

3- (Bromomethyl) anisole, 1- (Bromomethyl) -3-methoxybenzene, 3- (Bromomethyl) phenyl methyl ether

MDL Number

MFCD00216590

Purity

98%

Smiles

COc1cccc(CBr)c1

Chemical Information

3-Methoxybenzyl bromide

CAS Number	874-98-6
PubChem CID	4067207
IUPAC Name	1-(bromomethyl)-3-methoxybenzene
Molecular Formula	C8H9BrO
Molecular Weight	201.06
XLogP	2.6
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	95

SMILES

COC1=CC=CC(=C1)CBr

InChI

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

InChIKey

ZKSOJQDNSNJIQW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874-98-6

CID: 4067207

Formula: C8H9BrO

MW: 201.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.06
XLogP3	2.6
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	95.3
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
OR16607-01	4-Methoxybenzyl bromide
PC302841	3-Fluoro-2-methoxybenzyl bromide
OR401042	3-Iodo-2-methoxybenzyl bromide
OR400991-01	3-Chloro-4-methoxybenzyl bromide
PC2797-01	3-Fluoro-5-methoxybenzyl bromide
OR18742-01	3-Bromo-2-methoxybenzyl bromide
OR70061-01	3-Bromo-5-methoxybenzyl bromide
OR400328-01	3-Chloro-5-methoxybenzyl bromide
PC3801-01	3-Fluoro-4-methoxybenzyl bromide
OR400658	3-Chloro-2-methoxybenzyl bromide

Catalog	Name
M261075	3-Methoxybenzyl Bromide
233316-01	4-Methoxybenzyl bromide
RG-E141239-01	2-Methoxybenzyl bromide
URB25694-01	3-Chloro-2-methoxybenzyl bromide
276721-01	3-Fluoro-4-methoxybenzyl bromide
425719-01	3-Fluoro-5-methoxybenzyl bromide
DFA82886-01	2-Bromo-3-methoxybenzyl bromide
KKB27032	3-Chloro-5-methoxybenzyl bromide
RLB42050-01	3-Fluoro-2-methoxybenzyl bromide
CXB55847-01	3-Bromo-2-methoxybenzyl bromide