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1179618-49-5 | 3-(2,6-Dichloro-phenoxy)propanenitrile
CAS No: 1179618-49-5 Catalog No: AG01FCJ9 MDL No:
Product Description
Catalog Number:
AG01FCJ9
Chemical Name:
3-(2,6-Dichloro-phenoxy)propanenitrile
CAS Number:
1179618-49-5
Molecular Formula:
C9H7Cl2NO
Molecular Weight:
216.0640
IUPAC Name:
3-(2,6-dichlorophenoxy)propanenitrile
InChI:
InChI=1S/C9H7Cl2NO/c10-7-3-1-4-8(11)9(7)13-6-2-5-12/h1,3-4H,2,6H2
InChI Key:
YZWIZSFHCVPHFM-UHFFFAOYSA-N
SMILES:
N#CCCOc1c(Cl)cccc1Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.061g/mol
Monoisotopic Mass:
214.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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