CAS
850568-32-0 Purity
98%
850568-32-0 Purity
98%
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4-Cyano-2-nitrophenylboronic acid
CAS
850568-46-6
Catalog Number
ACM850568466
Category
Boronic Acids
Molecular Weight
191.94
Molecular Formula
C7H5BN2O4
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Specification
Synonyms
4-Cyano-2-nitrophenylboronic acid, 850568-46-6, (4-cyano-2-nitrophenyl)boronic acid, 4-Cyano-2-nitrobenzeneboronic acid, (4-cyano-2-nitro-phenyl)boronic Acid, AC1MZD4H, ACMC-209q21, CTK5F3966, MolPort-001-760-447, 4-Cyano-2-nitrophenylboronic acid,, ANW-38039, AKOS006227830, AB20322, AG-H-41282, OR13165, AK-44935, KB-38362, Boronic acid,B-(4-cyano-2-nitrophenyl)-, FT-0083808, FT-0644939
IUPAC Name
(4-cyano-2-nitrophenyl)boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)C#N)[N+](=O)[O-])(O)O
InChI Key
YDIOTBNYNPBRFF-UHFFFAOYSA-N
Boiling Point
421.5ºC at 760 mmHg
Melting Point
110-116ºC
Flash Point
208.7ºC
Density
1.48g/cm³
Exact Mass
192.03400
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
2
Safety Description
26-36/37/39
What is the molecular formula of 4-Cyano-2-nitrophenylboronic acid?
The molecular formula of 4-Cyano-2-nitrophenylboronic acid is C7H5BN2O4.
What is the molecular weight of 4-Cyano-2-nitrophenylboronic acid?
The molecular weight of 4-Cyano-2-nitrophenylboronic acid is 191.94 g/mol.
When was 4-Cyano-2-nitrophenylboronic acid created in PubChem?
4-Cyano-2-nitrophenylboronic acid was created in PubChem on September 12, 2005.
What is the IUPAC name of 4-Cyano-2-nitrophenylboronic acid?
The IUPAC name of 4-Cyano-2-nitrophenylboronic acid is (4-cyano-2-nitrophenyl)boronic acid.
What is the InChIKey of 4-Cyano-2-nitrophenylboronic acid?
The InChIKey of 4-Cyano-2-nitrophenylboronic acid is YDIOTBNYNPBRFF-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 4-Cyano-2-nitrophenylboronic acid?
There are 2 hydrogen bond donor counts in 4-Cyano-2-nitrophenylboronic acid.
What is the topological polar surface area of 4-Cyano-2-nitrophenylboronic acid?
The topological polar surface area of 4-Cyano-2-nitrophenylboronic acid is 110Ų.
How many defined atom stereocenter counts are there in 4-Cyano-2-nitrophenylboronic acid?
There are 0 defined atom stereocenter counts in 4-Cyano-2-nitrophenylboronic acid.
Is the compound 4-Cyano-2-nitrophenylboronic acid canonicalized?
Yes, the compound 4-Cyano-2-nitrophenylboronic acid is canonicalized.
What is the CAS number of 4-Cyano-2-nitrophenylboronic acid?
The CAS number of 4-Cyano-2-nitrophenylboronic acid is 850568-46-6.
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