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1443343-89-2

1443343-89-2 | 3'-n-Butoxy-4',5'-difluoroacetophenone

CAS No: 1443343-89-2 Catalog No: AG01FCRQ MDL No:

Product Description

Catalog Number:
AG01FCRQ
Chemical Name:
3'-n-Butoxy-4',5'-difluoroacetophenone
CAS Number:
1443343-89-2
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
IUPAC Name:
1-(3-butoxy-4,5-difluorophenyl)ethanone
InChI:
InChI=1S/C12H14F2O2/c1-3-4-5-16-11-7-9(8(2)15)6-10(13)12(11)14/h6-7H,3-5H2,1-2H3
InChI Key:
ONSQENGMRPQPLY-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1F)F)C(=O)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:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.239g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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