CAS
954223-14-4 Purity
96%
954223-14-4 Purity
96%
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3-(3-Nitrophenoxy)azetidine
CAS
954223-63-3
Catalog Number
ACM954223633
Category
Other Products
Molecular Weight
194.187300 [g/mol]
Molecular Formula
C9H10N2O3
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Specification
Synonyms
3-(3-NITROPHENOXY)AZETIDINE, CTK5I3785, AKOS012079384, AJ-96673, SC-36338, TR-066504, BB 0262804, 954223-63-3
IUPAC Name
3-(3-nitrophenoxy)azetidine
InChI Key
OBOGYFVCVNUEKT-UHFFFAOYSA-N
Boiling Point
345ºC at 760 mmHg
Flash Point
162.5ºC
Density
1.309g/cm³
Exact Mass
194.06900
H-Bond Acceptor
4
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(3-nitrophenoxy)azetidine.
What is the molecular formula of the compound?
The molecular formula of the compound is C9H10N2O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 194.19 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H10N2O3/c12-11(13)7-2-1-3-8(4-7)14-9-5-10-6-9/h1-4,9-10H,5-6H2.
What is the InChIKey of the compound?
The InChIKey of the compound is OBOGYFVCVNUEKT-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C1C(CN1)OC2=CC=CC(=C2)[N+](=O)[O-].
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 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 67.1 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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