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1159695-98-3 | 3'-Chloro-4'-n-propoxypropiophenone
CAS No: 1159695-98-3 Catalog No: AG01FDQ3 MDL No:
Product Description
Catalog Number:
AG01FDQ3
Chemical Name:
3'-Chloro-4'-n-propoxypropiophenone
CAS Number:
1159695-98-3
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
1-(3-chloro-4-propoxyphenyl)propan-1-one
InChI:
InChI=1S/C12H15ClO2/c1-3-7-15-12-6-5-9(8-10(12)13)11(14)4-2/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
CAGRUGIZJLITOB-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1Cl)C(=O)CC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/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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