CAS
545349-11-9 Purity
96%
545349-11-9 Purity
96%
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1-Benzyloxy-2-iodoethane
CAS
54555-84-9
Catalog Number
ACM54555849
Category
Other Products; Alkyl
Molecular Weight
262.09
Molecular Formula
C9H11IO
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Specification
Synonyms
1-BENZYLOXY-2-IODOETHANE, 54555-84-9, AmbkkkkK513, Benzyl 2-iodoethyl ether, SureCN948085, ACMC-1AV56, CTK5A1638, AG-F-89713, KB-218175
IUPAC Name
2-iodoethoxymethylbenzene
SMILES
C1=CC=C(C=C1)COCCI
InChI Key
NYACRWGQRUIHSO-UHFFFAOYSA-N
Exact Mass
261.98500
Hazard Statements
H302-H319
H-Bond Acceptor
1
H-Bond Donor
0
Symbol
GHS07
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-iodoethoxymethylbenzene.
What is the molecular formula of the compound?
The molecular formula of the compound is C9H11IO.
What is the CAS number of the compound?
The CAS number of the compound is 54555-84-9.
What is the molecular weight of the compound?
The molecular weight of the compound is 262.09 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is NYACRWGQRUIHSO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound does not have any 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 4 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 9.2Ų.
Is the compound canonically defined?
Yes, the compound is canonically defined.
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