CAS
999-01-9 Purity
96%
999-01-9 Purity
96%
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6-(4-Chlorophenoxy)nicotinonitrile
CAS
99902-70-2
Catalog Number
ACM99902702
Category
Other Products
Molecular Weight
230.6498
Molecular Formula
C12H7ClN2O
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Specification
Synonyms
BUTTPARK 147\16-36;6-(4-CHLOROPHENOXY)NICOTINONITRILE;2-(4-CHLOROPHENOXY)PYRIDINE-5-CARBONITRILE
IUPAC Name
6-(4-chlorophenoxy)pyridine-3-carbonitrile
Canonical SMILES
C1=CC(=CC=C1OC2=NC=C(C=C2)C#N)Cl
InChI Key
DAHIOIPBXNVSIW-UHFFFAOYSA-N
Density
1.35g/cm³
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 6-(4-Chlorophenoxy)nicotinonitrile?
The molecular formula is C12H7ClN2O.
What is the molecular weight of 6-(4-Chlorophenoxy)nicotinonitrile?
The molecular weight is 230.65 g/mol.
What is the IUPAC name of 6-(4-Chlorophenoxy)nicotinonitrile?
The IUPAC name is "6-(4-chlorophenoxy)pyridine-3-carbonitrile".
What is the InChI of 6-(4-Chlorophenoxy)nicotinonitrile?
The InChI is "InChI=1S/C12H7ClN2O/c13-10-2-4-11(5-3-10)16-12-6-1-9(7-14)8-15-12/h1-6,8H".
What is the InChIKey of 6-(4-Chlorophenoxy)nicotinonitrile?
The InChIKey is "DAHIOIPBXNVSIW-UHFFFAOYSA-N".
What is the Canonical SMILES of 6-(4-Chlorophenoxy)nicotinonitrile?
The Canonical SMILES is "C1=CC(=CC=C1OC2=NC=C(C=C2)C#N)Cl".
What is the CAS number of 6-(4-Chlorophenoxy)nicotinonitrile?
The CAS number is 99902-70-2.
What is the XLogP3-AA value of 6-(4-Chlorophenoxy)nicotinonitrile?
The XLogP3-AA value is 3.1.
How many hydrogen bond donor counts does 6-(4-Chlorophenoxy)nicotinonitrile have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 6-(4-Chlorophenoxy)nicotinonitrile have?
It has 3 hydrogen bond acceptor counts.
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