CAS
903-46-8 Purity
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903-46-8 Purity
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2-Isocyano-benzonitrile
CAS
90348-24-6
Catalog Number
ACM90348246
Category
Other Products
Molecular Weight
128.130760 [g/mol]
Molecular Formula
C8H4N2
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Specification
Synonyms
2-isocyanobenzonitrile, 90348-24-6, AC1MZJ9Y, MolPort-000-148-831, BBL021324, STK894033, AKOS005144137
IUPAC Name
2-isocyanobenzonitrile
Canonical SMILES
[C-]#[N+]C1=CC=CC=C1C#N
InChI Key
HTMWQSKIYNDFNU-UHFFFAOYSA-N
Exact Mass
128.03700
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Isocyano-benzonitrile?
The molecular formula of 2-Isocyano-benzonitrile is C8H4N2.
What is the molecular weight of 2-Isocyano-benzonitrile?
The molecular weight of 2-Isocyano-benzonitrile is 128.13 g/mol.
What is the IUPAC name of 2-Isocyano-benzonitrile?
The IUPAC name of 2-Isocyano-benzonitrile is 2-isocyanobenzonitrile.
What is the InChIKey of 2-Isocyano-benzonitrile?
The InChIKey of 2-Isocyano-benzonitrile is HTMWQSKIYNDFNU-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 2-Isocyano-benzonitrile have?
2-Isocyano-benzonitrile has 2 hydrogen bond acceptors.
What is the exact mass of 2-Isocyano-benzonitrile?
The exact mass of 2-Isocyano-benzonitrile is 128.037448136 g/mol.
Does 2-Isocyano-benzonitrile have any defined atom stereocenter count?
No, 2-Isocyano-benzonitrile does not have any defined atom stereocenter count.
How many rotatable bond counts does 2-Isocyano-benzonitrile have?
2-Isocyano-benzonitrile has 0 rotatable bond counts.
What is the topological polar surface area of 2-Isocyano-benzonitrile?
The topological polar surface area of 2-Isocyano-benzonitrile is 28.2 Å2.
Is 2-Isocyano-benzonitrile a canonicalized compound?
Yes, 2-Isocyano-benzonitrile is a canonicalized compound.
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