Home Halogens 1-bromo-4-cyclopentylbutan-2-one

1-bromo-4-cyclopentylbutan-2-one

CAS No.:
1218765-00-4
Catalog Number:
AG01AC0U
Molecular Formula:
C9H15BrO
Molecular Weight:
219.1188
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Product Description
Catalog Number:
AG01AC0U
Chemical Name:
1-bromo-4-cyclopentylbutan-2-one
CAS Number:
1218765-00-4
Molecular Formula:
C9H15BrO
Molecular Weight:
219.1188
MDL Number:
MFCD11656501
IUPAC Name:
1-bromo-4-cyclopentylbutan-2-one
InChI:
InChI=1S/C9H15BrO/c10-7-9(11)6-5-8-3-1-2-4-8/h8H,1-7H2
InChI Key:
VLWWDRCISXMLLG-UHFFFAOYSA-N
SMILES:
BrCC(=O)CCC1CCCC1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.122g/mol
Monoisotopic Mass:
218.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties