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151453-57-5 | 1,3-Benzenedicarbonitrile, 5-(dimethylamino)-
CAS No: 151453-57-5 Catalog No: AG001NCK MDL No:
Product Description
Catalog Number:
AG001NCK
Chemical Name:
1,3-Benzenedicarbonitrile, 5-(dimethylamino)-
CAS Number:
151453-57-5
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
IUPAC Name:
5-(dimethylamino)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C10H9N3/c1-13(2)10-4-8(6-11)3-9(5-10)7-12/h3-5H,1-2H3
InChI Key:
JXXGSRXZVRQCPR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)cc(c1)N(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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