CAS
93980-89-3 Purity
96%
93980-89-3 Purity
96%
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2,4-Bis-(2-methylphenoxy)-1-nitrobenzene
CAS
93980-94-0
Catalog Number
ACM93980940
Category
Other Products
Molecular Weight
335.353280 [g/mol]
Molecular Formula
C20H17NO4
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Specification
Synonyms
EINECS 301-075-5, CID3023149, 2,4-Bis(2-methylphenoxy)-1-nitrobenzene, 93980-94-0
IUPAC Name
2,4-bis(2-methylphenoxy)-1-nitrobenzene
Canonical SMILES
CC1=CC=CC=C1OC2=CC(=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3C
InChI Key
AGUUXLHIEOFRGU-UHFFFAOYSA-N
Boiling Point
428.7ºC at 760mmHg
Flash Point
159.7ºC
Density
1.219g/cm³
EC Number
301-075-5
Exact Mass
335.11600
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene?
The molecular formula is C20H17NO4.
When was 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene?
The IUPAC name is 2,4-bis(2-methylphenoxy)-1-nitrobenzene.
What is the InChI of 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene?
The InChI is InChI=1S/C20H17NO4/c1-14-7-3-5-9-18(14)24-16-11-12-17(21(22)23)20(13-16)25-19-10-6-4-8-15(19)2/h3-13H,1-2H3.
What is the InChIKey of 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene?
The InChIKey is AGUUXLHIEOFRGU-UHFFFAOYSA-N.
What is the molecular weight of 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene?
The molecular weight is 335.4 g/mol.
What is the Canonical SMILES of 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene?
The Canonical SMILES is CC1=CC=CC=C1OC2=CC(=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3C.
How many hydrogen bond donor counts does 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene?
The XLogP3-AA value is 5.5.
Is 2,4-Bis-(2-methylphenoxy)-1-nitrobenzene considered as a canonicalized compound in PubChem?
Yes, it is considered as a canonicalized compound in PubChem.
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