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100126-80-5 | 1-Propanone, 3-chloro-1-(4-ethoxyphenyl)-
CAS No: 100126-80-5 Catalog No: AG00010J MDL No:
Product Description
Catalog Number:
AG00010J
Chemical Name:
1-Propanone, 3-chloro-1-(4-ethoxyphenyl)-
CAS Number:
100126-80-5
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
3-chloro-1-(4-ethoxyphenyl)propan-1-one
InChI:
InChI=1S/C11H13ClO2/c1-2-14-10-5-3-9(4-6-10)11(13)7-8-12/h3-6H,2,7-8H2,1H3
InChI Key:
ZMMAEXLEPDZNDX-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1ccc(cc1)OCC
Properties
Complexity:
174
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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