(2,3-dibromophenyl)methyl formate

C8H6Br2O2 — CID 173425977

IUPAC(2,3-dibromophenyl)methyl formate
SMILESO=COCc1cccc(Br)c1Br
InChIInChI=1S/C8H6Br2O2/c9-7-3-1-2-6(8(7)10)4-12-5-11/h1-3,5H,4H2
InChIKeyYCBBTNSDJCHSKY-UHFFFAOYSA-N
MW293.94 g/mol
LogP2.88
Rot. Bonds3

About (2,3-dibromophenyl)methyl formate

(2,3-dibromophenyl)methyl formate (PubChem CID 173425977) has the molecular formula C8H6Br2O2 and a molecular weight of 293.94 g/mol. Its IUPAC name is (2,3-dibromophenyl)methyl formate.

Molecular Properties

Compound Name(2,3-dibromophenyl)methyl formate
PubChem CID173425977
Molecular FormulaC8H6Br2O2
Molecular Weight293.94 g/mol
Exact Mass291.87
IUPAC Name(2,3-dibromophenyl)methyl formate
SMILESO=COCc1cccc(Br)c1Br
InChIInChI=1S/C8H6Br2O2/c9-7-3-1-2-6(8(7)10)4-12-5-11/h1-3,5H,4H2
InChIKeyYCBBTNSDJCHSKY-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 52.88
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-bromonaphthalen-2-yl)methyl formate
CID 175095690
(2-sulfanylphenyl)methyl formate
CID 59818998
[4,5-bis(bromomethyl)-2-(formyloxymethyl)phenyl]methyl formate
CID 58245698
anthracen-1-ylmethyl formate
CID 54364674
(2-amino-3-pyridinyl)methyl formate
CID 174668609
1-bromo-3-(2,3-dibromophenyl)propan-2-one
CID 130953439
benzene;(2-carbamoylphenyl)methyl formate
CID 174940813
[2-(2,6-dichloroanilino)phenyl]methyl formate
CID 88975698
(2-methyl-3-naphthalen-1-ylphenyl)methyl formate
CID 174343361
[2-(2,2-dichloroethenoxy)phenyl]methyl formate
CID 173450979
(2,3-dibromophenyl)methylhydrazine;hydrochloride
CID 135397409
1-bromo-2-methoxy-3-(nitrosomethyl)benzene
CID 88892699

Frequently Asked Questions

What is the IUPAC name of (2,3-dibromophenyl)methyl formate?
The IUPAC name of (2,3-dibromophenyl)methyl formate (CID 173425977) is (2,3-dibromophenyl)methyl formate.
What is the SMILES notation for (2,3-dibromophenyl)methyl formate?
The canonical SMILES for (2,3-dibromophenyl)methyl formate is O=COCc1cccc(Br)c1Br.
What is the InChIKey of (2,3-dibromophenyl)methyl formate?
The InChIKey is YCBBTNSDJCHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O2/c9-7-3-1-2-6(8(7)10)4-12-5-11/h1-3,5H,4H2.
What are the key properties of (2,3-dibromophenyl)methyl formate?
(2,3-dibromophenyl)methyl formate has a molecular weight of 293.94 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromophenyl)methyl formate is sourced from PubChem (CID 173425977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).