CAS
914348-99-5 Purity
96%
914348-99-5 Purity
96%
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5-Chloro-N-hydroxy-1H-indole-3-carboxamidine
CAS
914349-02-3
Catalog Number
ACM914349023
Category
Other Products
Molecular Weight
209.632320 [g/mol]
Molecular Formula
C9H8ClN3O
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Specification
Synonyms
914349-02-3, 5-Chloro-N-hydroxy-1H-indole-3-carboximidamide, AG-H-75296, 5-Chloro-N-hydroxyindole-3-carboxamidine, N-HYDROXY-5-CHLORO-1H-INDOLE-3-CARBOXAMIDINE, CTK5G9629, ANW-61333, KB-245773
IUPAC Name
N-[amino-(5-chloroindol-3-ylidene)methyl]hydroxylamine
InChI Key
DMXHVULKSVGUET-UHFFFAOYSA-N
Boiling Point
496.3ºC at 760 mmHg
Flash Point
254ºC
Density
1.57g/cm³
Exact Mass
209.03600
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of the compound?
The molecular formula of the compound is C9H8ClN3O.
When was the compound created and modified in PubChem?
The compound was created on January 21, 2019, and modified on December 30, 2023 in PubChem.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC2=C(C=C1Cl)C(=CN2)C(=NO)N.
What is the InChIKey of the compound?
The InChIKey of the compound is NQUMMDGIACLAOM-UHFFFAOYSA-N.
What is the exact mass of the compound?
The exact mass of the compound is 209.0355896 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.8.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 74.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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