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123280-63-7 | Hexanenitrile, 4,4-dichloro-5-oxo-
CAS No: 123280-63-7 Catalog No: AG000K9E MDL No:
Product Description
Catalog Number:
AG000K9E
Chemical Name:
Hexanenitrile, 4,4-dichloro-5-oxo-
CAS Number:
123280-63-7
Molecular Formula:
C6H7Cl2NO
Molecular Weight:
180.0319
IUPAC Name:
4,4-dichloro-5-oxohexanenitrile
InChI:
InChI=1S/C6H7Cl2NO/c1-5(10)6(7,8)3-2-4-9/h2-3H2,1H3
InChI Key:
KMRRKIVFGUWHRN-UHFFFAOYSA-N
SMILES:
N#CCCC(C(=O)C)(Cl)Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.99g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.028g/mol
Monoisotopic Mass:
178.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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