Home Halogens 1-bromo-4-(oxan-2-yl)butan-2-one

1-bromo-4-(oxan-2-yl)butan-2-one

CAS No.:
1515456-13-9
Catalog Number:
AG01AUBO
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
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Product Description
Catalog Number:
AG01AUBO
Chemical Name:
1-bromo-4-(oxan-2-yl)butan-2-one
CAS Number:
1515456-13-9
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
MDL Number:
MFCD23845014
IUPAC Name:
1-bromo-4-(oxan-2-yl)butan-2-one
InChI:
InChI=1S/C9H15BrO2/c10-7-8(11)4-5-9-3-1-2-6-12-9/h9H,1-7H2
InChI Key:
NHBRYHSJEUUFLN-UHFFFAOYSA-N
SMILES:
BrCC(=O)CCC1CCCCO1
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.121g/mol
Monoisotopic Mass:
234.026g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties