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1443309-85-0 | 3,5-Difluoro-4-n-pentoxybenzoyl chloride
CAS No: 1443309-85-0 Catalog No: AG01FC13 MDL No:
Product Description
Catalog Number:
AG01FC13
Chemical Name:
3,5-Difluoro-4-n-pentoxybenzoyl chloride
CAS Number:
1443309-85-0
Molecular Formula:
C12H13ClF2O2
Molecular Weight:
262.6802
IUPAC Name:
3,5-difluoro-4-pentoxybenzoyl chloride
InChI:
InChI=1S/C12H13ClF2O2/c1-2-3-4-5-17-11-9(14)6-8(12(13)16)7-10(11)15/h6-7H,2-5H2,1H3
InChI Key:
QALAQHLEDPVFQC-UHFFFAOYSA-N
SMILES:
CCCCCOc1c(F)cc(cc1F)C(=O)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.681g/mol
Monoisotopic Mass:
262.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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