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1443304-54-8 | 4-Fluoro-3-iso-pentoxybenzoyl chloride
CAS No: 1443304-54-8 Catalog No: AG01FCQ5 MDL No:
Product Description
Catalog Number:
AG01FCQ5
Chemical Name:
4-Fluoro-3-iso-pentoxybenzoyl chloride
CAS Number:
1443304-54-8
Molecular Formula:
C12H14ClFO2
Molecular Weight:
244.6898
IUPAC Name:
4-fluoro-3-(3-methylbutoxy)benzoyl chloride
InChI:
InChI=1S/C12H14ClFO2/c1-8(2)5-6-16-11-7-9(12(13)15)3-4-10(11)14/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
FYXFCUHKHYBUJU-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(ccc1F)C(=O)Cl)C
Properties
Complexity:
233
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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