CAS
95596-45-5 Purity
96%
95596-45-5 Purity
96%
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4-Bromo-1H-indole-2-carbonitrile
CAS
955978-74-2
Catalog Number
ACM955978742
Category
Other Products
Molecular Weight
221.053400 [g/mol]
Molecular Formula
C9H5BrN2
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Specification
Synonyms
4-Bromo-1H-indole-2-carbonitrile, 955978-74-2, AGN-PC-0CSOZA, SureCN993313, CTK8B6623, MolPort-022-277-830, ANW-53783, AKOS016000191, AK-30913, KB-240487
IUPAC Name
4-bromo-1H-indole-2-carbonitrile
Canonical SMILES
C1=CC2=C(C=C(N2)C#N)C(=C1)Br
InChI Key
XFDNTTNQXSIPDZ-UHFFFAOYSA-N
Exact Mass
219.96400
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 4-Bromo-1H-indole-2-carbonitrile?
The molecular formula of 4-Bromo-1H-indole-2-carbonitrile is C9H5BrN2.
What is the molecular weight of 4-Bromo-1H-indole-2-carbonitrile?
The molecular weight of 4-Bromo-1H-indole-2-carbonitrile is 221.05 g/mol.
What is the IUPAC name of 4-Bromo-1H-indole-2-carbonitrile?
The IUPAC name of 4-Bromo-1H-indole-2-carbonitrile is 4-bromo-1H-indole-2-carbonitrile.
What is the InChI of 4-Bromo-1H-indole-2-carbonitrile?
The InChI of 4-Bromo-1H-indole-2-carbonitrile is InChI=1S/C9H5BrN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,12H.
What is the InChIKey of 4-Bromo-1H-indole-2-carbonitrile?
The InChIKey of 4-Bromo-1H-indole-2-carbonitrile is XFDNTTNQXSIPDZ-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Bromo-1H-indole-2-carbonitrile?
The canonical SMILES of 4-Bromo-1H-indole-2-carbonitrile is C1=CC2=C(C=C(N2)C#N)C(=C1)Br.
What is the CAS number of 4-Bromo-1H-indole-2-carbonitrile?
The CAS number of 4-Bromo-1H-indole-2-carbonitrile is 955978-74-2.
What is the XLogP3-AA value of 4-Bromo-1H-indole-2-carbonitrile?
The XLogP3-AA value of 4-Bromo-1H-indole-2-carbonitrile is 2.8.
What is the hydrogen bond donor count of 4-Bromo-1H-indole-2-carbonitrile?
The hydrogen bond donor count of 4-Bromo-1H-indole-2-carbonitrile is 1.
Is 4-Bromo-1H-indole-2-carbonitrile a canonicalized compound?
Yes, 4-Bromo-1H-indole-2-carbonitrile is a canonicalized compound.
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