(3-bromo-5-methoxyphenyl)borane

C7H8BBrO — CID 88897767

IUPAC(3-bromo-5-methoxyphenyl)borane
SMILESBc1cc(Br)cc(OC)c1
InChIInChI=1S/C7H8BBrO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,8H2,1H3
InChIKeyKULMZSYQLJRGRW-UHFFFAOYSA-N
MW198.86 g/mol
LogP0.72
Rot. Bonds1

About (3-bromo-5-methoxyphenyl)borane

(3-bromo-5-methoxyphenyl)borane (PubChem CID 88897767) has the molecular formula C7H8BBrO and a molecular weight of 198.86 g/mol. Its IUPAC name is (3-bromo-5-methoxyphenyl)borane.

Molecular Properties

Compound Name(3-bromo-5-methoxyphenyl)borane
PubChem CID88897767
Molecular FormulaC7H8BBrO
Molecular Weight198.86 g/mol
Exact Mass197.99
IUPAC Name(3-bromo-5-methoxyphenyl)borane
SMILESBc1cc(Br)cc(OC)c1
InChIInChI=1S/C7H8BBrO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,8H2,1H3
InChIKeyKULMZSYQLJRGRW-UHFFFAOYSA-N
XLogP0.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.86
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981
1-bromo-3-(isocyanomethyl)-5-methoxybenzene
CID 164810568
phosphane;1,3,5-trimethoxybenzene
CID 175232895
(1S)-1-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 131283592
3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline
CID 82867863
2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane
CID 138376231
2,6-dibromo-4-methoxypyridine
CID 10901569
2,6-dibromo-4-methoxyaniline
CID 542895
2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
CID 83720839
1-bromo-3,5-diethoxybenzene
CID 150473293

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methoxyphenyl)borane?
The IUPAC name of (3-bromo-5-methoxyphenyl)borane (CID 88897767) is (3-bromo-5-methoxyphenyl)borane.
What is the SMILES notation for (3-bromo-5-methoxyphenyl)borane?
The canonical SMILES for (3-bromo-5-methoxyphenyl)borane is Bc1cc(Br)cc(OC)c1.
What is the InChIKey of (3-bromo-5-methoxyphenyl)borane?
The InChIKey is KULMZSYQLJRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BBrO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,8H2,1H3.
What are the key properties of (3-bromo-5-methoxyphenyl)borane?
(3-bromo-5-methoxyphenyl)borane has a molecular weight of 198.86 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methoxyphenyl)borane is sourced from PubChem (CID 88897767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).