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100156-03-4 | Propanedinitrile, 2,2'-(1-chloro-9,10-anthracenediylidene)bis- (9CI)
CAS No: 100156-03-4 Catalog No: AG000146 MDL No:
Product Description
Catalog Number:
AG000146
Chemical Name:
Propanedinitrile, 2,2'-(1-chloro-9,10-anthracenediylidene)bis- (9CI)
CAS Number:
100156-03-4
Molecular Formula:
C20H7ClN4
Molecular Weight:
338.7494
IUPAC Name:
2-[4-chloro-10-(dicyanomethylidene)anthracen-9-ylidene]propanedinitrile
InChI:
InChI=1S/C20H7ClN4/c21-17-7-3-6-16-18(12(8-22)9-23)14-4-1-2-5-15(14)19(20(16)17)13(10-24)11-25/h1-7H
InChI Key:
HXMKWIYGBCDVDN-UHFFFAOYSA-N
SMILES:
N#CC(=c1c2ccccc2c(=C(C#N)C#N)c2c1c(Cl)ccc2)C#N
Properties
Complexity:
807
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.036g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.754g/mol
Monoisotopic Mass:
338.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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