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1443347-42-9 | 4-iso-Butoxy-3,5-difluorobenzoyl chloride
CAS No: 1443347-42-9 Catalog No: AG01FBOO MDL No:
Product Description
Catalog Number:
AG01FBOO
Chemical Name:
4-iso-Butoxy-3,5-difluorobenzoyl chloride
CAS Number:
1443347-42-9
Molecular Formula:
C11H11ClF2O2
Molecular Weight:
248.6536
IUPAC Name:
3,5-difluoro-4-(2-methylpropoxy)benzoyl chloride
InChI:
InChI=1S/C11H11ClF2O2/c1-6(2)5-16-10-8(13)3-7(11(12)15)4-9(10)14/h3-4,6H,5H2,1-2H3
InChI Key:
ZNIBFNPJGWJNRA-UHFFFAOYSA-N
SMILES:
CC(COc1c(F)cc(cc1F)C(=O)Cl)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.654g/mol
Monoisotopic Mass:
248.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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