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1443331-29-0 | 4-Fluoro-3-n-pentoxybenzoyl chloride
CAS No: 1443331-29-0 Catalog No: AG01FDKZ MDL No:
Product Description
Catalog Number:
AG01FDKZ
Chemical Name:
4-Fluoro-3-n-pentoxybenzoyl chloride
CAS Number:
1443331-29-0
Molecular Formula:
C12H14ClFO2
Molecular Weight:
244.6898
IUPAC Name:
4-fluoro-3-pentoxybenzoyl chloride
InChI:
InChI=1S/C12H14ClFO2/c1-2-3-4-7-16-11-8-9(12(13)15)5-6-10(11)14/h5-6,8H,2-4,7H2,1H3
InChI Key:
PMXNLGQYRDQBHG-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(ccc1F)C(=O)Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.69g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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