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219922-62-0 | 3'-Chloro-6'-methoxybutyrophenone
CAS No: 219922-62-0 Catalog No: AG01FEIB MDL No:
Product Description
Catalog Number:
AG01FEIB
Chemical Name:
3'-Chloro-6'-methoxybutyrophenone
CAS Number:
219922-62-0
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
1-(5-chloro-2-methoxyphenyl)butan-1-one
InChI:
InChI=1S/C11H13ClO2/c1-3-4-10(13)9-7-8(12)5-6-11(9)14-2/h5-7H,3-4H2,1-2H3
InChI Key:
GYWLWWDIFRLZMF-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(Cl)ccc1OC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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