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1249463-63-5 | 3'-Chloro-6'-iso-pentoxyacetophenone
CAS No: 1249463-63-5 Catalog No: AG01FDGB MDL No:
Product Description
Catalog Number:
AG01FDGB
Chemical Name:
3'-Chloro-6'-iso-pentoxyacetophenone
CAS Number:
1249463-63-5
Molecular Formula:
C13H17ClO2
Molecular Weight:
240.7259
IUPAC Name:
1-[5-chloro-2-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C13H17ClO2/c1-9(2)6-7-16-13-5-4-11(14)8-12(13)10(3)15/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
UBWCKOXTIBQECC-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1C(=O)C)Cl)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.727g/mol
Monoisotopic Mass:
240.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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