CAS
913835-88-8 Purity
98%
913835-88-8 Purity
98%
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2-Chloro-4-(ethoxycarbonyl)phenylboronic acid
CAS
913835-94-6
Catalog Number
ACM913835946
Category
Boronic Acids
Molecular Weight
228.4373
Molecular Formula
C9H10 B Cl O4
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Specification
Synonyms
Ethyl 4-borono-3-chlorobenzoate, 913835-94-6, 2-chloro-4-(ethoxycarbonyl)phenylboronic acid, 2-Chloro-4-(ethoxycarbonyl)benzeneboronic acid, ACMC-209raf, CTK5G9464, Ethyl 4-borono-3-chlorobenzoate,, MolPort-001-768-298, ANW-39637, OR3423, AKOS015833556, AB48259, AG-H-74965, AK-62114, KB-51213, X1454, B-5775, (2-Chloro-4-(ethoxycarbonyl)phenyl)boronic acid, I01-10569
IUPAC Name
(2-chloro-4-ethoxycarbonylphenyl)boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)C(=O)OCC)Cl)(O)O
InChI Key
JVVJLOYYNCABND-UHFFFAOYSA-N
Boiling Point
394.8ºC at 760 mmHg
Melting Point
115-118ºC
Flash Point
192.5ºC
Density
1.33g/cm³
Exact Mass
228.03600
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The molecular formula of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is C9H10BClO4.
What is the molecular weight of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The molecular weight of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is 228.44 g/mol.
What is the IUPAC name of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The IUPAC name of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is (2-chloro-4-ethoxycarbonylphenyl)boronic acid.
What is the InChI code of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The InChI code of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is InChI=1S/C9H10BClO4/c1-2-15-9(12)6-3-4-7(10(13)14)8(11)5-6/h3-5,13-14H,2H2,1H3.
What is the InChIKey of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The InChIKey of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is JVVJLOYYNCABND-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The canonical SMILES of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is B(C1=C(C=C(C=C1)C(=O)OCC)Cl)(O)O.
What is the CAS number of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The CAS number of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is 913835-94-6.
What is the hydrogen bond donor count of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The hydrogen bond donor count of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is 2.
What is the hydrogen bond acceptor count of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The hydrogen bond acceptor count of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is 4.
What is the topological polar surface area of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid?
The topological polar surface area of 2-Chloro-4-(ethoxycarbonyl)phenylboronic acid is 66.8Ų.
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