CAS
95596-80-8 Purity
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95596-80-8 Purity
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5-Fluoro-4-iodo-1H-indole
CAS
955978-88-8
Catalog Number
ACM955978888
Category
Other Products
Molecular Weight
261.034873 [g/mol]
Molecular Formula
C8H5FIN
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Specification
Synonyms
5-fluoro-4-iodo-1H-indole, AGN-PC-0CSOZ1, SureCN994437, KB-246015, 955978-88-8
IUPAC Name
5-fluoro-4-iodo-1H-indole
Canonical SMILES
C1=CC(=C(C2=C1NC=C2)I)F
InChI Key
PZVWMIMJWJJLAW-UHFFFAOYSA-N
Exact Mass
260.94500
H-Bond Acceptor
1
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-fluoro-4-iodo-1H-indole.
What is the molecular formula of the compound?
The molecular formula of the compound is C8H5FIN.
What is the molecular weight of the compound?
The molecular weight of the compound is 261.03 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H5FIN/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H.
What is the InChIKey of the compound?
The InChIKey of the compound is PZVWMIMJWJJLAW-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=C(C2=C1NC=C2)I)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.8.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 1 hydrogen bond acceptor count.
How many rotatable bond counts does the compound have?
The compound has 0 rotatable bond count.
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