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139677-61-5 | Propanedinitrile, 2-[(4,5-dihydro-3-phenyl-1H-pyrazol-4-yl)methylene]-
CAS No: 139677-61-5 Catalog No: AG001BHU MDL No:
Product Description
Catalog Number:
AG001BHU
Chemical Name:
Propanedinitrile, 2-[(4,5-dihydro-3-phenyl-1H-pyrazol-4-yl)methylene]-
CAS Number:
139677-61-5
Molecular Formula:
C13H10N4
Molecular Weight:
222.2453
IUPAC Name:
2-[(3-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C13H10N4/c14-7-10(8-15)6-12-9-16-17-13(12)11-4-2-1-3-5-11/h1-6,12,16H,9H2
InChI Key:
FLXWESSAKIITIC-UHFFFAOYSA-N
SMILES:
N#CC(=CC1CNN=C1c1ccccc1)C#N
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.251g/mol
Monoisotopic Mass:
222.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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