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821777-08-6 | Benzonitrile, 2-chloro-4-(dibutylamino)-
CAS No: 821777-08-6 Catalog No: AG005ITH MDL No:MFCD19495263
Product Description
Catalog Number:
AG005ITH
Chemical Name:
Benzonitrile, 2-chloro-4-(dibutylamino)-
CAS Number:
821777-08-6
Molecular Formula:
C15H21ClN2
Molecular Weight:
264.7936
MDL Number:
MFCD19495263
IUPAC Name:
2-chloro-4-(dibutylamino)benzonitrile
InChI:
InChI=1S/C15H21ClN2/c1-3-5-9-18(10-6-4-2)14-8-7-13(12-17)15(16)11-14/h7-8,11H,3-6,9-10H2,1-2H3
InChI Key:
JWOSFAKJXZFDHV-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(c(c1)Cl)C#N)CCCC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.139g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.797g/mol
Monoisotopic Mass:
264.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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