(2-bromophenyl)methyl formate

C8H7BrO2 — CID 23511200

IUPAC(2-bromophenyl)methyl formate
SMILESO=COCc1ccccc1Br
InChIInChI=1S/C8H7BrO2/c9-8-4-2-1-3-7(8)5-11-6-10/h1-4,6H,5H2
InChIKeyFIPRKZMBEQTZDG-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.12
Rot. Bonds3

About (2-bromophenyl)methyl formate

(2-bromophenyl)methyl formate (PubChem CID 23511200) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is (2-bromophenyl)methyl formate.

Molecular Properties

Compound Name(2-bromophenyl)methyl formate
PubChem CID23511200
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name(2-bromophenyl)methyl formate
SMILESO=COCc1ccccc1Br
InChIInChI=1S/C8H7BrO2/c9-8-4-2-1-3-7(8)5-11-6-10/h1-4,6H,5H2
InChIKeyFIPRKZMBEQTZDG-UHFFFAOYSA-N
XLogP2.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl formate
CID 7708
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
2-(2-Bromophenyl)oxirane
CID 11030814

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl formate?
The IUPAC name of (2-bromophenyl)methyl formate (CID 23511200) is (2-bromophenyl)methyl formate.
What is the SMILES notation for (2-bromophenyl)methyl formate?
The canonical SMILES for (2-bromophenyl)methyl formate is O=COCc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methyl formate?
The InChIKey is FIPRKZMBEQTZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c9-8-4-2-1-3-7(8)5-11-6-10/h1-4,6H,5H2.
What are the key properties of (2-bromophenyl)methyl formate?
(2-bromophenyl)methyl formate has a molecular weight of 215.05 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl formate is sourced from PubChem (CID 23511200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).