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88972-20-7 | 2-Butanone, 4-chloro-4-ethoxy-
CAS No: 88972-20-7 Catalog No: AG0045XN MDL No:
Product Description
Catalog Number:
AG0045XN
Chemical Name:
2-Butanone, 4-chloro-4-ethoxy-
CAS Number:
88972-20-7
Molecular Formula:
C6H11ClO2
Molecular Weight:
150.6033
IUPAC Name:
4-chloro-4-ethoxybutan-2-one
InChI:
InChI=1S/C6H11ClO2/c1-3-9-6(7)4-5(2)8/h6H,3-4H2,1-2H3
InChI Key:
AEQOOLCNWDFXBE-UHFFFAOYSA-N
SMILES:
CCOC(CC(=O)C)Cl
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.602g/mol
Monoisotopic Mass:
150.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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