200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 74446-96-1
74446-96-1 | Benzoyl chloride, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)-
CAS No: 74446-96-1 Catalog No: AG005BG0 MDL No:
Product Description
Catalog Number:
AG005BG0
Chemical Name:
Benzoyl chloride, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)-
CAS Number:
74446-96-1
Molecular Formula:
C20H27ClO
Molecular Weight:
318.8808
IUPAC Name:
4-(4-pentyl-1-bicyclo[2.2.2]octanyl)benzoyl chloride
InChI:
InChI=1S/C20H27ClO/c1-2-3-4-9-19-10-13-20(14-11-19,15-12-19)17-7-5-16(6-8-17)18(21)22/h5-8H,2-4,9-15H2,1H3
InChI Key:
QMGAFIKMRWNEST-UHFFFAOYSA-N
SMILES:
CCCCCC12CCC(CC1)(CC2)c1ccc(cc1)C(=O)Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.175g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.885g/mol
Monoisotopic Mass:
318.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
Related Products
© 2019 Angene International Limited. All rights Reserved.