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1175794-38-3 | 2'-iso-Butoxy-5'-chloroacetophenone
CAS No: 1175794-38-3 Catalog No: AG01FDQH MDL No:
Product Description
Catalog Number:
AG01FDQH
Chemical Name:
2'-iso-Butoxy-5'-chloroacetophenone
CAS Number:
1175794-38-3
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
1-[5-chloro-2-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C12H15ClO2/c1-8(2)7-15-12-5-4-10(13)6-11(12)9(3)14/h4-6,8H,7H2,1-3H3
InChI Key:
YUSPQZPFVALSDA-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1C(=O)C)Cl)C
Properties
Complexity:
216
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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