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4-Bromophthalonitrile

Catalog Number
ACM70484014
CAS Number
70484-01-4
Product Name
4-Bromophthalonitrile
Structure
Category
Phthalocyanine Building Blocks
Synonyms
4-BROMOPHTHALONITRILE
IUPAC Name
4-bromobenzene-1,2-dicarbonitrile
Molecular Weight
207.03g/mol
Molecular Formula
C8H3BrN2
Canonical SMILES
C1=CC(=C(C=C1Br)C#N)C#N
InChI
InChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChI Key
ARAONWRSVQOHIT-UHFFFAOYSA-N
Complexity
231
Covalently-Bonded Unit Count
1
Exact Mass
205.94796g/mol
Formal Charge
0
Heavy Atom Count
11
Monoisotopic Mass
205.94796g/mol
Rotatable Bond Count
0
XLogP3
2.1
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