CAS
94313-81-2 Purity
96%
94313-81-2 Purity
96%
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1H-Imidazole-4-ylboronicacid
CAS
943138-65-6
Catalog Number
ACM943138656
Category
Other Products
Molecular Weight
111.895000 [g/mol]
Molecular Formula
C3H5BN2O2
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Specification
Synonyms
943138-65-6, 1H-IMIDAZOL-4-YLBORONIC ACID, 1H-IMIDAZOL-5-YLBORONIC ACID, AG-H-25055, SureCN3788230, SureCN3789879, 1H-Imidazole-4-ylboronic acid, CTK5E8171, CTK5H6374, (1H-Imidazol-4-yl)boronic acid, (1H-Imidazol-5-yl)boronic acid, MolPort-009-200-001, ANW-72414, AKOS006337104, AKOS015966476, AG-H-89417, AK-40523, KB-205115
IUPAC Name
1H-imidazol-5-ylboronic acid
Canonical SMILES
B(C1=CN=CN1)(O)O
InChI Key
GUSNYROLFJGBCT-UHFFFAOYSA-N
Boiling Point
505.2ºC at 760 mmHg
Flash Point
259.3ºC
Density
1.4g/cm³
Exact Mass
112.04400
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of 1H-Imidazole-4-ylboronic acid?
The molecular formula is C3H5BN2O2.
What is the PubChem CID of 1H-Imidazole-4-ylboronic acid?
The PubChem CID is 52988092.
What is the IUPAC Name of 1H-Imidazole-4-ylboronic acid?
The IUPAC Name is 1H-imidazol-5-ylboronic acid.
What is the InChI of 1H-Imidazole-4-ylboronic acid?
The InChI is InChI=1S/C3H5BN2O2/c7-4(8)3-1-5-2-6-3/h1-2,7-8H,(H,5,6).
What is the InChIKey of 1H-Imidazole-4-ylboronic acid?
The InChIKey is GUSNYROLFJGBCT-UHFFFAOYSA-N.
What is the Canonical SMILES of 1H-Imidazole-4-ylboronic acid?
The Canonical SMILES is B(C1=CN=CN1)(O)O.
What is the molecular weight of 1H-Imidazole-4-ylboronic acid?
The molecular weight is 111.90 g/mol.
How many hydrogen bond donor atoms are there in 1H-Imidazole-4-ylboronic acid?
There are 3 hydrogen bond donor atoms.
How many hydrogen bond acceptor atoms are there in 1H-Imidazole-4-ylboronic acid?
There are 3 hydrogen bond acceptor atoms.
How many rotatable bonds are there in 1H-Imidazole-4-ylboronic acid?
There is 1 rotatable bond.
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