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1182962-05-5 | 3-(3,4-Dichloro-phenoxy)propanenitrile
CAS No: 1182962-05-5 Catalog No: AG01FCJC MDL No:
Product Description
Catalog Number:
AG01FCJC
Chemical Name:
3-(3,4-Dichloro-phenoxy)propanenitrile
CAS Number:
1182962-05-5
Molecular Formula:
C9H7Cl2NO
Molecular Weight:
216.0640
IUPAC Name:
3-(3,4-dichlorophenoxy)propanenitrile
InChI:
InChI=1S/C9H7Cl2NO/c10-8-3-2-7(6-9(8)11)13-5-1-4-12/h2-3,6H,1,5H2
InChI Key:
GHHWFZKXGGDHJI-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(c(c1)Cl)Cl
Properties
Complexity:
201
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:
2.9
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