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19005-63-1 | Benzonitrile, 4-(dimethylamino)-3-nitro-
CAS No: 19005-63-1 Catalog No: AG002EA9 MDL No:MFCD01411865
Product Description
Catalog Number:
AG002EA9
Chemical Name:
Benzonitrile, 4-(dimethylamino)-3-nitro-
CAS Number:
19005-63-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD01411865
IUPAC Name:
4-(dimethylamino)-3-nitrobenzonitrile
InChI:
InChI=1S/C9H9N3O2/c1-11(2)8-4-3-7(6-10)5-9(8)12(13)14/h3-5H,1-2H3
InChI Key:
ROVUKLFPIVOWOP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])N(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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