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891842-39-0 | Benzonitrile, 2-[(1E)-2-(dimethylamino)ethenyl]-4-nitro-
CAS No: 891842-39-0 Catalog No: AG003WDV MDL No:
Product Description
Catalog Number:
AG003WDV
Chemical Name:
Benzonitrile, 2-[(1E)-2-(dimethylamino)ethenyl]-4-nitro-
CAS Number:
891842-39-0
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
2-[2-(dimethylamino)ethenyl]-4-nitrobenzonitrile
InChI:
InChI=1S/C11H11N3O2/c1-13(2)6-5-9-7-11(14(15)16)4-3-10(9)8-12/h3-7H,1-2H3
InChI Key:
AMATWRKKORCUCJ-UHFFFAOYSA-N
SMILES:
CN(/C=C/c1cc(ccc1C#N)[N+](=O)[O-])C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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