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1,4-Diamino-2,3-dicyano-9,10-anthraquinone

Catalog Number
ACM81414
CAS Number
81-41-4
Product Name
1,4-Diamino-2,3-dicyano-9,10-anthraquinone
Structure
Category
Phthalonitriles & Naphthalonitriles
IUPAC Name
1,4-diamino-9,10-dioxoanthracene-2,3-dicarbonitrile
Molecular Weight
288.26g/mol
Molecular Formula
C16H8N4O2
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C#N)N
InChI
InChI=1S/C16H8N4O2/c17-5-9-10(6-18)14(20)12-11(13(9)19)15(21)7-3-1-2-4-8(7)16(12)22/h1-4H,19-20H2
InChI Key
QUZJFTXRXJQLBH-UHFFFAOYSA-N
Complexity
558
Covalently-Bonded Unit Count
1
EC Number
201-347-2
Exact Mass
288.064726g/mol
Formal Charge
0
Heavy Atom Count
22
Monoisotopic Mass
288.064726g/mol
Rotatable Bond Count
0
XLogP3
2
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