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Structure

4-Bromophthalonitrile

CAS
70484-01-4
Catalog Number
ACM70484014
Category
Other Products
Molecular Weight
207.03g/mol
Molecular Formula
C8H3BrN2

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Specification

Synonyms
4-BROMOPHTHALONITRILE
IUPAC Name
4-bromobenzene-1,2-dicarbonitrile
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
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
11
Monoisotopic Mass
205.94796g/mol
Rotatable Bond Count
0
XLogP3
2.1
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