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121506-91-0 | Propanedinitrile, 2,2'-(5-chloro-1H-indene-1,3(2H)-diylidene)bis- (9CI)
CAS No: 121506-91-0 Catalog No: AG00153G MDL No:
Product Description
Catalog Number:
AG00153G
Chemical Name:
Propanedinitrile, 2,2'-(5-chloro-1H-indene-1,3(2H)-diylidene)bis- (9CI)
CAS Number:
121506-91-0
Molecular Formula:
C15H5ClN4
Molecular Weight:
276.6800
IUPAC Name:
2-[5-chloro-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile
InChI:
InChI=1S/C15H5ClN4/c16-11-1-2-12-13(9(5-17)6-18)4-14(15(12)3-11)10(7-19)8-20/h1-3H,4H2
InChI Key:
XTPXZWVWWRFZNH-UHFFFAOYSA-N
SMILES:
N#CC(=C1CC(=C(C#N)C#N)c2c1cc(Cl)cc2)C#N
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.683g/mol
Monoisotopic Mass:
276.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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