CAS
910654-43-2 Purity
96%
910654-43-2 Purity
96%
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5-(3-Chloropropyl)-3-phenyl-1,2,4-oxadiazole
CAS
91066-23-8
Catalog Number
ACM91066238
Category
Other Products
Molecular Weight
222.670840 [g/mol]
Molecular Formula
C11H11ClN2O
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Specification
Synonyms
MolPort-002-469-459, ZINC04207331, CID4962827, EN300-14098, 91066-23-8
IUPAC Name
5-(3-chloropropyl)-3-phenyl-1,2,4-oxadiazole
InChI Key
KGPLNKMMWKJLJA-UHFFFAOYSA-N
Boiling Point
359.3ºC at 760mmHg
Flash Point
171.1ºC
Density
1.205g/cm³
Exact Mass
222.05600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C11H11ClN2O.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(3-chloropropyl)-3-phenyl-1,2,4-oxadiazole.
What is the molecular weight of the compound?
The molecular weight of the compound is 222.67 g/mol.
What is the InChI key of the compound?
The InChI key of the compound is KGPLNKMMWKJLJA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)C2=NOC(=N2)CCCCl.
What is the CAS number of the compound?
The CAS number of the compound is 91066-23-8.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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