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1260761-22-5 | Benzenebutanenitrile, 2,4-dichloro-
CAS No: 1260761-22-5 Catalog No: AG000R5J MDL No:
Product Description
Catalog Number:
AG000R5J
Chemical Name:
Benzenebutanenitrile, 2,4-dichloro-
CAS Number:
1260761-22-5
Molecular Formula:
C10H9Cl2N
Molecular Weight:
214.0912
IUPAC Name:
4-(2,4-dichlorophenyl)butanenitrile
InChI:
InChI=1S/C10H9Cl2N/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h4-5,7H,1-3H2
InChI Key:
RNVYCRVSHYCBDP-UHFFFAOYSA-N
SMILES:
N#CCCCc1ccc(cc1Cl)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.089g/mol
Monoisotopic Mass:
213.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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