CAS
913836-00-7 Purity
97%
913836-00-7 Purity
97%
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Boronicacid,b-[4-(2-bromoethoxy)phenyl]-
CAS
913836-06-3
Catalog Number
ACM913836063
Category
Other Products
Molecular Weight
244.8782
Molecular Formula
C8H10BBrO3
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Specification
Synonyms
913836-06-3, 4-(2-Bromoethoxy)phenylboronic acid, 4-(2-Bromoethoxy)benzeneboronic acid, (4-(2-Bromoethoxy)phenyl)boronic acid, ACMC-209raq, CTK3I6396, MolPort-001-767-805, ANW-39648, OR3771, AKOS015836159, AG-H-74976, AK-91812, KB-33723, Boronicacid, B-[4-(2-bromoethoxy)phenyl]-, FT-0687787, A-4635, I04-1835
IUPAC Name
[4-(2-bromoethoxy)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)OCCBr)(O)O
InChI Key
IJUQRBJDVKMDFJ-UHFFFAOYSA-N
Boiling Point
387.3ºC at 760 mmHg
Flash Point
188.1ºC
Density
1.53g/cm³
Exact Mass
243.99100
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 44119387?
The molecular formula is C8H10BBrO3.
When was the compound created in PubChem?
The compound was created on July 21, 2009.
What is the IUPAC Name of the compound?
The IUPAC Name is [4-(2-bromoethoxy)phenyl]boronic acid.
What is the InChIKey of the compound?
The InChIKey is IJUQRBJDVKMDFJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 243.99064 g/mol.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 49.7 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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