CAS
89943-14-6 Purity
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89943-14-6 Purity
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6-(Pyrrol-1-yl)-3-pyridinyl boronic acid
CAS
899436-83-0
Catalog Number
ACM899436830
Category
Other Products
Molecular Weight
187.993
Molecular Formula
C9H9BN2O2
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Specification
Synonyms
(6-(1H-Pyrrol-1-yl)pyridin-3-yl)boronic acid, 899436-83-0, AKOS006314736, AK119351, KB-208826
IUPAC Name
(6-pyrrol-1-ylpyridin-3-yl)boronic acid
Canonical SMILES
B(C1=CN=C(C=C1)N2C=CC=C2)(O)O
InChI Key
FQHQYOZWZHKQCN-UHFFFAOYSA-N
Exact Mass
188.07600
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C9H9BN2O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 187.99 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (6-pyrrol-1-ylpyridin-3-yl)boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H9BN2O2/c13-10(14)8-3-4-9(11-7-8)12-5-1-2-6-12/h1-7,13-14H.
What is the InChIKey of the compound?
The InChIKey of the compound is FQHQYOZWZHKQCN-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CN=C(C=C1)N2C=CC=C2)(O)O.
What is the CAS number of the compound?
The CAS number of the compound is 899436-83-0.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 2.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 3.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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