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197387-33-0 | Cyclohexanone, 4-(bromomethyl)-
CAS No: 197387-33-0 Catalog No: AG002AS5 MDL No:MFCD20637900
Product Description
Catalog Number:
AG002AS5
Chemical Name:
Cyclohexanone, 4-(bromomethyl)-
CAS Number:
197387-33-0
Molecular Formula:
C7H11BrO
Molecular Weight:
191.0656
MDL Number:
MFCD20637900
IUPAC Name:
4-(bromomethyl)cyclohexan-1-one
InChI:
InChI=1S/C7H11BrO/c8-5-6-1-3-7(9)4-2-6/h6H,1-5H2
InChI Key:
TXKUIDPIVDLMHW-UHFFFAOYSA-N
SMILES:
BrCC1CCC(=O)CC1
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.068g/mol
Monoisotopic Mass:
189.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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