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125418-96-4 | Acetonitrile, 2-(4-chloro-2-formylphenoxy)-
CAS No: 125418-96-4 Catalog No: AG000NOJ MDL No:
Product Description
Catalog Number:
AG000NOJ
Chemical Name:
Acetonitrile, 2-(4-chloro-2-formylphenoxy)-
CAS Number:
125418-96-4
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
IUPAC Name:
2-(4-chloro-2-formylphenoxy)acetonitrile
InChI:
InChI=1S/C9H6ClNO2/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5-6H,4H2
InChI Key:
PWSUNQQOAPKBKK-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1C=O)Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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