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821776-81-2 | Benzonitrile, 4-(dipentylamino)-2-nitro-
CAS No: 821776-81-2 Catalog No: AG005ITP MDL No:
Product Description
Catalog Number:
AG005ITP
Chemical Name:
Benzonitrile, 4-(dipentylamino)-2-nitro-
CAS Number:
821776-81-2
Molecular Formula:
C17H25N3O2
Molecular Weight:
303.3993
IUPAC Name:
4-(dipentylamino)-2-nitrobenzonitrile
InChI:
InChI=1S/C17H25N3O2/c1-3-5-7-11-19(12-8-6-4-2)16-10-9-15(14-18)17(13-16)20(21)22/h9-10,13H,3-8,11-12H2,1-2H3
InChI Key:
CWCXIQXIWKTNGA-UHFFFAOYSA-N
SMILES:
CCCCCN(c1ccc(c(c1)[N+](=O)[O-])C#N)CCCCC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.195g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.406g/mol
Monoisotopic Mass:
303.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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