Home Halogens 2-bromo-3-methoxybutane, Mixture of diastereomers

2-bromo-3-methoxybutane, Mixture of diastereomers

CAS No.:
24618-36-8
Catalog Number:
AG01BXWR
Molecular Formula:
C5H11BrO
Molecular Weight:
167.0442
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Product Description
Catalog Number:
AG01BXWR
Chemical Name:
2-bromo-3-methoxybutane, Mixture of diastereomers
CAS Number:
24618-36-8
Molecular Formula:
C5H11BrO
Molecular Weight:
167.0442
MDL Number:
MFCD20622873
IUPAC Name:
2-bromo-3-methoxybutane
InChI:
InChI=1S/C5H11BrO/c1-4(6)5(2)7-3/h4-5H,1-3H3
InChI Key:
MNFFVQPIBJUTHA-UHFFFAOYSA-N
SMILES:
COC(C(Br)C)C
Properties
Complexity:
47.3  
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:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties