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1016868-89-5 | 4-(2,5-Dichloro-phenoxy)butanenitrile
CAS No: 1016868-89-5 Catalog No: AG01FCUY MDL No:
Product Description
Catalog Number:
AG01FCUY
Chemical Name:
4-(2,5-Dichloro-phenoxy)butanenitrile
CAS Number:
1016868-89-5
Molecular Formula:
C10H9Cl2NO
Molecular Weight:
230.0906
IUPAC Name:
4-(2,5-dichlorophenoxy)butanenitrile
InChI:
InChI=1S/C10H9Cl2NO/c11-8-3-4-9(12)10(7-8)14-6-2-1-5-13/h3-4,7H,1-2,6H2
InChI Key:
APXUNSPBSRKENO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1OCCCC#N)Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.088g/mol
Monoisotopic Mass:
229.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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