Methyl 4-bromo-2-isopropoxycarbonylaminobenzoate

HCID 68680673
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Basic information

Standard SMILES
COC(=O)c1ccc(Br)cc1NC(=O)OC(C)C
InChIKey
YCGJNRITCDQDJW-UHFFFAOYSA-N
Molecular formula
C12H14BrNO4
Average molar mass
316.15 g/mol
Monoisotopic mass
315.01062

Names & identifiers

Preferred name
Methyl 4-bromo-2-isopropoxycarbonylaminobenzoate
IUPAC
methyl 4-bromo-2-(propan-2-yloxycarbonylamino)benzoate

Names & synonyms

Methyl 4-Bromo-2-[(isopropoxycarbonyl)amino]benzoateSCHEMBL3536306YCGJNRITCDQDJW-UHFFFAOYSA-N851044-98-9SY456631Methyl 4-bromo-2-isopropoxycarbonylaminobenzoate

Database identifiers

PubChem CID
68680673

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18

Related reactions

4 records
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Compound notes

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