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Home > Other Heterocycles > 123033-33-0
123033-33-0 | Bicyclo[3.1.1]heptane-1-carbonyl chloride
CAS No: 123033-33-0 Catalog No: AG000K00 MDL No:
Product Description
Catalog Number:
AG000K00
Chemical Name:
Bicyclo[3.1.1]heptane-1-carbonyl chloride
CAS Number:
123033-33-0
Molecular Formula:
C8H11ClO
Molecular Weight:
158.6253
IUPAC Name:
bicyclo[3.1.1]heptane-1-carbonyl chloride
InChI:
InChI=1S/C8H11ClO/c9-7(10)8-3-1-2-6(4-8)5-8/h6H,1-5H2
InChI Key:
TVZZYOLOHRQOTN-UHFFFAOYSA-N
SMILES:
ClC(=O)C12CCCC(C1)C2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.625g/mol
Monoisotopic Mass:
158.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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