bromo 2-methylbenzoate

C8H7BrO2 — CID 67185739

IUPACbromo 2-methylbenzoate
SMILESCc1ccccc1C(=O)OBr
InChIInChI=1S/C8H7BrO2/c1-6-4-2-3-5-7(6)8(10)11-9/h2-5H,1H3
InChIKeyBTMROEAEVFHVEE-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.46
Rot. Bonds1

About bromo 2-methylbenzoate

bromo 2-methylbenzoate (PubChem CID 67185739) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is bromo 2-methylbenzoate.

Molecular Properties

Compound Namebromo 2-methylbenzoate
PubChem CID67185739
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Namebromo 2-methylbenzoate
SMILESCc1ccccc1C(=O)OBr
InChIInChI=1S/C8H7BrO2/c1-6-4-2-3-5-7(6)8(10)11-9/h2-5H,1H3
InChIKeyBTMROEAEVFHVEE-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bromo 2-amino-3-methylbenzoate
CID 174426723
trimethylsilyl 2-methylbenzoate
CID 577266
ethane;methane;methyl 2-methylbenzoate
CID 168902289
nitroso 2-methylbenzoate
CID 175187431
bromo 2-fluorobenzoate
CID 68843510
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
phosphono 2-methylbenzoate
CID 66728080
methyl 2-methylbenzoate;1,1,1-trifluoroethane
CID 156877365
bis[(2-methylbenzoyl)peroxy]phosphoryl 2-methylbenzenecarboperoxoate
CID 87127144
propyl 2-methylbenzoate
CID 23432654
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
oxiran-2-ylmethyl 2-methylbenzoate
CID 18622411

Frequently Asked Questions

What is the IUPAC name of bromo 2-methylbenzoate?
The IUPAC name of bromo 2-methylbenzoate (CID 67185739) is bromo 2-methylbenzoate.
What is the SMILES notation for bromo 2-methylbenzoate?
The canonical SMILES for bromo 2-methylbenzoate is Cc1ccccc1C(=O)OBr.
What is the InChIKey of bromo 2-methylbenzoate?
The InChIKey is BTMROEAEVFHVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c1-6-4-2-3-5-7(6)8(10)11-9/h2-5H,1H3.
What are the key properties of bromo 2-methylbenzoate?
bromo 2-methylbenzoate has a molecular weight of 215.05 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 2-methylbenzoate is sourced from PubChem (CID 67185739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).