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169610-52-0

169610-52-0 | 2,6-Dimethoxybenzylbromide

CAS No: 169610-52-0 Catalog No: AG01FFX9 MDL No:

Product Description

Catalog Number:
AG01FFX9
Chemical Name:
2,6-Dimethoxybenzylbromide
CAS Number:
169610-52-0
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
IUPAC Name:
2-(bromomethyl)-1,3-dimethoxybenzene
InChI:
InChI=1S/C9H11BrO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,6H2,1-2H3
InChI Key:
GXAOHKNCTGIDHH-UHFFFAOYSA-N
SMILES:
BrCc1c(OC)cccc1OC

Properties

Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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