CAS
952664-72-1 Purity
96%
952664-72-1 Purity
96%
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2-tert-Butyl-4-fluoro-5-nitro-1H-indole
CAS
952664-90-3
Catalog Number
ACM952664903
Category
Other Products
Molecular Weight
236.242223 [g/mol]
Molecular Formula
C12H13FN2O2
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Specification
Synonyms
2-TERT-BUTYL-4-FLUORO-5-NITRO-1H-INDOLE, 952664-90-3, SureCN1464699, CTK5H7610, AG-H-92412, KB-232233, 2-tert-butyl-4-fluoranyl-5-nitro-1H-indole, A845260
IUPAC Name
2-tert-butyl-4-fluoro-5-nitro-1H-indole
Canonical SMILES
CC(C)(C)C1=CC2=C(N1)C=CC(=C2F)[N+](=O)[O-]
InChI Key
CLIWUFBUJSJAFM-UHFFFAOYSA-N
Exact Mass
236.09600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-tert-Butyl-4-fluoro-5-nitro-1H-indole?
The molecular formula is C12H13FN2O2.
What is the molecular weight of 2-tert-Butyl-4-fluoro-5-nitro-1H-indole?
The molecular weight is 236.24 g/mol.
What is the IUPAC name of 2-tert-Butyl-4-fluoro-5-nitro-1H-indole?
The IUPAC name is 2-tert-butyl-4-fluoro-5-nitro-1H-indole.
What is the InChI of 2-tert-Butyl-4-fluoro-5-nitro-1H-indole?
The InChI is InChI=1S/C12H13FN2O2/c1-12(2,3)10-6-7-8(14-10)4-5-9(11(7)13)15(16)17/h4-6,14H,1-3H3.
What is the InChIKey of 2-tert-Butyl-4-fluoro-5-nitro-1H-indole?
The InChIKey is CLIWUFBUJSJAFM-UHFFFAOYSA-N.
What is the canonical SMILES of 2-tert-Butyl-4-fluoro-5-nitro-1H-indole?
The canonical SMILES is CC(C)(C)C1=CC2=C(N1)C=CC(=C2F)[N+](=O)[O-].
When was 2-tert-Butyl-4-fluoro-5-nitro-1H-indole created?
It was created on October 30, 2011.
When was 2-tert-Butyl-4-fluoro-5-nitro-1H-indole last modified?
It was last modified on December 30, 2023.
What is the XLogP3-AA value of 2-tert-Butyl-4-fluoro-5-nitro-1H-indole?
The XLogP3-AA value is 3.7.
Is 2-tert-Butyl-4-fluoro-5-nitro-1H-indole a canonicalized compound?
Yes, it is a canonicalized compound.
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