CAS
952664-90-3 Purity
96%
952664-90-3 Purity
96%
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2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile
CAS
952664-97-0
Catalog Number
ACM952664970
Category
Other Products
Molecular Weight
243.261220 [g/mol]
Molecular Formula
C13H13N3O2
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Specification
Synonyms
2-TERT-BUTYL-5-NITRO-1H-INDOLE-7-CARBONITRILE, 952664-97-0, SureCN1465526, CTK5H7612, AG-H-92414, A845262
IUPAC Name
2-tert-butyl-5-nitro-1H-indole-7-carbonitrile
Canonical SMILES
CC(C)(C)C1=CC2=C(N1)C(=CC(=C2)[N+](=O)[O-])C#N
InChI Key
BSJQIBDHKIHBHB-UHFFFAOYSA-N
Exact Mass
243.10100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile?
The molecular formula is C13H13N3O2.
What is the IUPAC name of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile?
The IUPAC name is 2-tert-butyl-5-nitro-1H-indole-7-carbonitrile.
What is the molecular weight of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile?
The molecular weight is 243.26 g/mol.
What is the InChI of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile?
The InChI is InChI=1S/C13H13N3O2/c1-13(2,3)11-6-8-4-10(16(17)18)5-9(7-14)12(8)15-11/h4-6,15H,1-3H3.
What is the InChIKey of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile?
The InChIKey is BSJQIBDHKIHBHB-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile?
The Canonical SMILES is CC(C)(C)C1=CC2=CC(=CC(=C2N1)C#N)[N+](=O)[O-].
What is the CAS number of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile?
The CAS number is 952664-97-0.
What is the molecular weight of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile according to PubChem?
The molecular weight is 243.26 g/mol.
What is the XLogP3-AA value of 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile?
The XLogP3-AA value is 3.3.
Is 2-tert-Butyl-5-nitro-1H-indole-7-carbonitrile a canonicalized compound?
Yes, it is canonicalized.
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