(3-bromophenyl) formate

C7H5BrO2 — CID 23207322

IUPAC(3-bromophenyl) formate
SMILESO=COc1cccc(Br)c1
InChIInChI=1S/C7H5BrO2/c8-6-2-1-3-7(4-6)10-5-9/h1-5H
InChIKeyMMJDSHXCSWUGEE-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.98
Rot. Bonds2

About (3-bromophenyl) formate

(3-bromophenyl) formate (PubChem CID 23207322) has the molecular formula C7H5BrO2 and a molecular weight of 201.02 g/mol. Its IUPAC name is (3-bromophenyl) formate.

Molecular Properties

Compound Name(3-bromophenyl) formate
PubChem CID23207322
Molecular FormulaC7H5BrO2
Molecular Weight201.02 g/mol
Exact Mass199.95
IUPAC Name(3-bromophenyl) formate
SMILESO=COc1cccc(Br)c1
InChIInChI=1S/C7H5BrO2/c8-6-2-1-3-7(4-6)10-5-9/h1-5H
InChIKeyMMJDSHXCSWUGEE-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.98
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

(3-formylphenyl) formate
CID 58195323
CID 87675096
CID 87675096
CID 57202540
CID 57202540
[3-(3-bromophenoxy)-2-hydroxypropyl] formate
CID 89316807
4-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
[3-(tert-butylamino)phenyl] formate
CID 140940937
2-[2-(3-bromophenoxy)ethoxy]-3-methylbenzaldehyde
CID 115955560
4-(3-bromophenoxy)-3-chlorobenzaldehyde
CID 81152635
(3-bromophenyl) dimethyl phosphate
CID 526167
(3-bromophenyl) 2-hydroxyacetate
CID 130732790
(3-bromophenoxy)-methylphosphinic acid
CID 174796798

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl) formate?
The IUPAC name of (3-bromophenyl) formate (CID 23207322) is (3-bromophenyl) formate.
What is the SMILES notation for (3-bromophenyl) formate?
The canonical SMILES for (3-bromophenyl) formate is O=COc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl) formate?
The InChIKey is MMJDSHXCSWUGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2/c8-6-2-1-3-7(4-6)10-5-9/h1-5H.
What are the key properties of (3-bromophenyl) formate?
(3-bromophenyl) formate has a molecular weight of 201.02 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl) formate is sourced from PubChem (CID 23207322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).