CAS
931411-87-9 Purity
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931411-87-9 Purity
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3-(4-Chlorophenoxy)-4-nitrobenzoic acid methyl ester
CAS
931414-11-8
Catalog Number
ACM931414118
Category
Other Products
Molecular Formula
C14H10ClNO5
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What is the molecular formula of the compound?
The molecular formula of the compound is C14H10ClNO5.
What is the molecular weight of the compound?
The molecular weight of the compound is 307.68 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 3-(4-chlorophenoxy)-4-nitrobenzoate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C14H10ClNO5/c1-20-14(17)9-2-7-12(16(18)19)13(8-9)21-11-5-3-10(15)4-6-11/h2-8H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is NAWNAXMDTDLJPC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)Cl.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 3.9.
How many hydrogen bond donor atoms are present in the compound?
There are 0 hydrogen bond donor atoms in the compound.
How many hydrogen bond acceptor atoms are present in the compound?
There are 5 hydrogen bond acceptor atoms in the compound.
How many rotatable bonds are present in the compound?
There are 4 rotatable bonds in the compound.
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CAS
931411-88-0 Purity
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931411-88-0 Purity
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