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Structure

3-Bromo-2-isopropoxy-5-methylphenylboronic acid

CAS
870718-01-7
Catalog Number
ACM870718017-1
Category
Boronic Acids
Molecular Weight
272.93g/mol
Molecular Formula
C10H14BBrO3

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Specification

IUPAC Name
(3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1OC(C)C)Br)C)(O)O
InChI
InChI=1S/C10H14BBrO3/c1-6(2)15-10-8(11(13)14)4-7(3)5-9(10)12/h4-6,13-14H,1-3H3
InChI Key
VTDMHYFQQWORBC-UHFFFAOYSA-N
Complexity
201
Covalently-Bonded Unit Count
1
Exact Mass
272.02194g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
15
Monoisotopic Mass
272.02194g/mol
Rotatable Bond Count
3
What is the molecular formula of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The molecular formula of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is C10H14BBrO3.

What is the molecular weight of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The molecular weight of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is 272.93 g/mol.

When was 3-Bromo-2-isopropoxy-5-methylphenylboronic acid created?

3-Bromo-2-isopropoxy-5-methylphenylboronic acid was created on September 13, 2005.

When was 3-Bromo-2-isopropoxy-5-methylphenylboronic acid last modified?

The last modification date of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid.

What is the InChI of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The InChI of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is InChI=1S/C10H14BBrO3/c1-6(2)15-10-8(11(13)14)4-7(3)5-9(10)12/h4-6,13-14H,1-3H3.

What is the InChIKey of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The InChIKey of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is VTDMHYFQQWORBC-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The canonical SMILES representation of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is B(C1=CC(=CC(=C1OC(C)C)Br)C)(O)O.

What is the CAS number of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The CAS number of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is 870718-01-7.

What is the hydrogen bond donor count of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The hydrogen bond donor count of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is 2.

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