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22633-44-9

22633-44-9 | (3-(Bromomethyl)oxetan-3-yl)methanol

CAS No: 22633-44-9 Catalog No: AG0037SB MDL No:MFCD09800598

Product Description

Catalog Number:
AG0037SB
Chemical Name:
(3-(Bromomethyl)oxetan-3-yl)methanol
CAS Number:
22633-44-9
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
MDL Number:
MFCD09800598
IUPAC Name:
[3-(bromomethyl)oxetan-3-yl]methanol
InChI:
InChI=1S/C5H9BrO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
InChI Key:
SESXZSLSTRITGO-UHFFFAOYSA-N
SMILES:
OCC1(CBr)COC1

Properties

Complexity:
80.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

Literature

Title Journal
Chemical degradation of 2,2-bis(bromomethyl)propan-1,3-diol (DBNPG) in alkaline conditions. Chemosphere 20100401
Chemical transformation of 3-bromo-2,2-bis(bromomethyl)-propanol under basic conditions. Environmental science & technology 20050115

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