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1443340-00-8 | 3'-Chloro-4'-n-pentoxypropiophenone
CAS No: 1443340-00-8 Catalog No: AG01FDY6 MDL No:
Product Description
Catalog Number:
AG01FDY6
Chemical Name:
3'-Chloro-4'-n-pentoxypropiophenone
CAS Number:
1443340-00-8
Molecular Formula:
C14H19ClO2
Molecular Weight:
254.7525
IUPAC Name:
1-(3-chloro-4-pentoxyphenyl)propan-1-one
InChI:
InChI=1S/C14H19ClO2/c1-3-5-6-9-17-14-8-7-11(10-12(14)15)13(16)4-2/h7-8,10H,3-6,9H2,1-2H3
InChI Key:
KUIHGTZGAGHLOL-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Cl)C(=O)CC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.754g/mol
Monoisotopic Mass:
254.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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