CAS
95167-71-8 Purity
96%
95167-71-8 Purity
96%
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6-(4-Chlorophenylamino)pyridin-3-ylboronic acid
CAS
951771-31-6
Catalog Number
ACM951771316
Category
Other Products
Molecular Weight
248.05
Molecular Formula
C11H10BClN2O2
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Specification
Synonyms
6-(4-chlorophenylamino)pyridin-3-ylboronic acid, 951771-31-6, SureCN4515059, KB-247055
IUPAC Name
[6-(4-chloroanilino)pyridin-3-yl]boronic acid
Canonical SMILES
B(C1=CN=C(C=C1)NC2=CC=C(C=C2)Cl)(O)O
InChI Key
PIGWTPPOKZMYQX-UHFFFAOYSA-N
Exact Mass
248.05200
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of the compound?
The molecular formula of the compound is C11H10BClN2O2.
What are the synonyms of the compound?
The synonyms of the compound are 951771-31-6, [6-(4-Chloroanilino)pyridin-3-yl]boronic acid, 6-(4-chlorophenylamino)pyridin-3-ylboronic acid, SCHEMBL4515059, and DTXSID00701202.
What is the molecular weight of the compound?
The molecular weight of the compound is 248.47 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [6-(4-chloroanilino)pyridin-3-yl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H10BClN2O2/c13-9-2-4-10(5-3-9)15-11-6-1-8(7-14-11)12(16)17/h1-7,16-17H,(H,14,15).
What is the InChIKey of the compound?
The InChIKey of the compound is PIGWTPPOKZMYQX-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CN=C(C=C1)NC2=CC=C(C=C2)Cl)(O)O.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 3.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 4.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 65.4 ?^2.
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