Home Halogens 3-bromo-1-methoxybutane

3-bromo-1-methoxybutane

CAS No.:
53424-50-3
Catalog Number:
AG019TCI
Molecular Formula:
C5H11BrO
Molecular Weight:
167.0442
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Product Description
Catalog Number:
AG019TCI
Chemical Name:
3-bromo-1-methoxybutane
CAS Number:
53424-50-3
Molecular Formula:
C5H11BrO
Molecular Weight:
167.0442
MDL Number:
MFCD16127772
IUPAC Name:
3-bromo-1-methoxybutane
InChI:
InChI=1S/C5H11BrO/c1-5(6)3-4-7-2/h5H,3-4H2,1-2H3
InChI Key:
RKFOMXBDHZVLJX-UHFFFAOYSA-N
SMILES:
COCCC(Br)C
Properties
Complexity:
39.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.999g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.046g/mol
Monoisotopic Mass:
165.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties