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167496-69-7 | Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carbonyl chloride, 4-fluoro-
CAS No: 167496-69-7 Catalog No: AG001XEJ MDL No:
Product Description
Catalog Number:
AG001XEJ
Chemical Name:
Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carbonyl chloride, 4-fluoro-
CAS Number:
167496-69-7
Molecular Formula:
C9H6ClFO
Molecular Weight:
184.5947
IUPAC Name:
4-fluorocubane-1-carbonyl chloride
InChI:
InChI=1S/C9H6ClFO/c10-7(12)8-1-4-2(8)6-3(8)5(1)9(4,6)11/h1-6H
InChI Key:
MECCTHXHLLBSIF-UHFFFAOYSA-N
SMILES:
ClC(=O)C12C3C4C2C2C1C3C42F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.594g/mol
Monoisotopic Mass:
184.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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