CAS
93777-03-8 Purity
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93777-03-8 Purity
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2-Bromo-4-cyano-6-iodophenyl octanoate
CAS
93777-16-3
Catalog Number
ACM93777163
Category
Other Products
Molecular Weight
450.109450 [g/mol]
Molecular Formula
C15H17BrINO2
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Specification
Synonyms
EINECS 298-045-6, 2-Bromo-4-cyano-6-iodophenyl octanoate, 93777-16-3
IUPAC Name
(2-bromo-4-cyano-6-iodophenyl) octanoate
Canonical SMILES
CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)Br
InChI Key
SAZMMKVERXRCHL-UHFFFAOYSA-N
Boiling Point
488.5ºC at 760mmHg
Flash Point
249.2ºC
Density
1.654g/cm³
EC Number
298-045-6
Exact Mass
448.94900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Bromo-4-cyano-6-iodophenyl octanoate?
The molecular formula is C15H17BrINO2.
What are some synonyms for 2-Bromo-4-cyano-6-iodophenyl octanoate?
Some synonyms include 93777-16-3 and GT7W7UC9ZX.
What is the molecular weight of 2-Bromo-4-cyano-6-iodophenyl octanoate?
The molecular weight is 450.11 g/mol.
What is the IUPAC name of 2-Bromo-4-cyano-6-iodophenyl octanoate?
The IUPAC name is (2-bromo-4-cyano-6-iodophenyl) octanoate.
What is the InChIKey of 2-Bromo-4-cyano-6-iodophenyl octanoate?
The InChIKey is SAZMMKVERXRCHL-UHFFFAOYSA-N.
What are some identifiers for 2-Bromo-4-cyano-6-iodophenyl octanoate?
Some identifiers include CAS number 93777-16-3 and UNII GT7W7UC9ZX.
What is the XLogP3-AA value of 2-Bromo-4-cyano-6-iodophenyl octanoate?
The XLogP3-AA value is 5.7.
What is the hydrogen bond donor count of 2-Bromo-4-cyano-6-iodophenyl octanoate?
The hydrogen bond donor count is 0.
How many rotatable bonds does 2-Bromo-4-cyano-6-iodophenyl octanoate have?
It has 8 rotatable bonds.
Is 2-Bromo-4-cyano-6-iodophenyl octanoate a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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