CAS
913835-44-6 Purity
98%
913835-44-6 Purity
98%
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Boronicacid, B-[3-[[(3-chloropropyl)sulfonyl]amino]phenyl]-
CAS
913835-50-4
Catalog Number
ACM913835504
Category
Other Products
Molecular Weight
277.5347
Molecular Formula
C9H13 B Cl N O4 S
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Specification
Synonyms
913835-50-4, 3-(3-Chloropropylsulfonamido)phenylboronic acid, ACMC-209r9g, SureCN693060, CTK3I6392, MolPort-001-768-274, ANW-39602, OR3338, AKOS015850537, AG-H-74921, QC-1491, KB-26806, B-4207, 3-(3-chloropropanesulfonamido)phenylboronic acid, 3-(3-Chloropropylsulfonamido)phenylboronic acid,, 3-(3-Chloropropylsulphonamido)benzeneboronic acid, A843829, [3-(3-chloropropylsulfonylamino)phenyl]boronic acid, I04-2604, [3-(3-chloranylpropylsulfonylamino)phenyl]boronic acid
IUPAC Name
[3-(3-chloropropylsulfonylamino)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)NS(=O)(=O)CCCCl)(O)O
InChI Key
LWZDXIWINJAQDN-UHFFFAOYSA-N
Boiling Point
491.6ºC at 760 mmHg
Melting Point
114-116ºC
Flash Point
251.1ºC
Density
1.42g/cm³
Exact Mass
277.03500
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of Boronicacid?
The molecular formula of Boronicacid is C9H13BClNO4S.
When was Boronicacid created?
Boronicacid was created on July 21, 2009.
What is the IUPAC Name of Boronicacid?
The IUPAC Name of Boronicacid is [3-(3-chloropropylsulfonylamino)phenyl]boronic acid.
How is the InChI of Boronicacid represented?
The InChI of Boronicacid is represented as InChI=1S/C9H13BClNO4S/c11-5-2-6-17(15,16)12-9-4-1-3-8(7-9)10(13)14/h1,3-4,7,12-14H,2,5-6H2.
What is the Canonical SMILES of Boronicacid?
The Canonical SMILES of Boronicacid is B(C1=CC(=CC=C1)NS(=O)(=O)CCCCl)(O)O.
What is the molecular weight of Boronicacid?
The molecular weight of Boronicacid is 277.54 g/mol.
How many Hydrogen Bond Donor Count does Boronicacid have?
Boronicacid has 3 Hydrogen Bond Donor Count.
How many Hydrogen Bond Acceptor Count does Boronicacid have?
Boronicacid has 5 Hydrogen Bond Acceptor Count.
What is the Exact Mass of Boronicacid?
The Exact Mass of Boronicacid is 277.0346869 g/mol.
Is the Compound Is Canonicalized for Boronicacid?
Yes, the Compound Is Canonicalized for Boronicacid.
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