CAS
921938-87-6 Purity
96%
921938-87-6 Purity
96%
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2-(3-Isocyanatophenoxy)-6-methylpyrazine
CAS
921938-94-5
Catalog Number
ACM921938945
Category
Other Products
Molecular Weight
227.22
Molecular Formula
C12H9N3O2
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Specification
Synonyms
3-[(6-Methylpyrazin-2-yl)oxy]phenyl isocyanate, 921938-94-5, CTK5H1011, MolPort-000-143-958, SBB097130, ZINC12370719, AG-H-78257, CC62606, 2-(3-isocyanatophenoxy)-6-methylpyrazine, KB-88149, 3-(6-methylpyrazin-2-yloxy)benzenisocyanate
IUPAC Name
2-(3-isocyanatophenoxy)-6-methylpyrazine
Canonical SMILES
CC1=CN=CC(=N1)OC2=CC=CC(=C2)N=C=O
InChI Key
LCRVXXVLPQYITG-UHFFFAOYSA-N
Boiling Point
350.3ºC at 760 mmHg
Flash Point
165.7ºC
Density
1.22g/cm³
Exact Mass
227.06900
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 2-(3-isocyanatophenoxy)-6-methylpyrazine?
The molecular formula is C12H9N3O2.
When was 2-(3-isocyanatophenoxy)-6-methylpyrazine created in PubChem?
It was created on 2008-02-29.
What is the IUPAC Name of 2-(3-isocyanatophenoxy)-6-methylpyrazine?
The IUPAC name is 2-(3-isocyanatophenoxy)-6-methylpyrazine.
What is the InChIKey of 2-(3-isocyanatophenoxy)-6-methylpyrazine?
The InChIKey is LCRVXXVLPQYITG-UHFFFAOYSA-N.
What is the exact mass of 2-(3-isocyanatophenoxy)-6-methylpyrazine?
The exact mass is 227.069476538 g/mol.
How many Hydrogen Bond Acceptor Count does 2-(3-isocyanatophenoxy)-6-methylpyrazine have?
It has 5 Hydrogen Bond Acceptor Count.
What is the Heavy Atom Count of 2-(3-isocyanatophenoxy)-6-methylpyrazine?
The Heavy Atom Count is 17.
Is 2-(3-isocyanatophenoxy)-6-methylpyrazine a Covalently-Bonded Unit?
Yes, it is a Covalently-Bonded Unit.
What is the XLogP3-AA value for 2-(3-isocyanatophenoxy)-6-methylpyrazine?
The XLogP3-AA value is 2.8.
What is the Topological Polar Surface Area of 2-(3-isocyanatophenoxy)-6-methylpyrazine?
The Topological Polar Surface Area is 64.4 Å2.
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