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2164-34-3

2164-34-3 | 2-(Bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine

CAS No: 2164-34-3 Catalog No: AG003EZY MDL No:MFCD00044831

Product Description

Catalog Number:
AG003EZY
Chemical Name:
2-(Bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine
CAS Number:
2164-34-3
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00044831
IUPAC Name:
3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2
InChI Key:
QYLFKNVZIFTCIY-UHFFFAOYSA-N
SMILES:
BrCC1COc2c(O1)cccc2
EC Number:
218-503-0
NSC Number:
106871

Properties

Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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