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Compound
2-bromoethyl-N-(2-ethoxyphenyl)carbamate
HCID
11162014
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCOc1ccccc1NC(=O)OCCBr
InChIKey
CTFUIDHRICZGLN-UHFFFAOYSA-N
Molecular formula
C11H14BrNO3
Average molar mass
288.14 g/mol
Monoisotopic mass
287.01571
Names & identifiers
Preferred name
2-bromoethyl-N-(2-ethoxyphenyl)carbamate
IUPAC
2-bromoethyl N-(2-ethoxyphenyl)carbamate
Names & synonyms
SCHEMBL5657811
CTFUIDHRICZGLN-UHFFFAOYSA-N
2-bromoethyl-N-(2-ethoxyphenyl)carbamate
Database identifiers
PubChem CID
11162014
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
Formal charge
0
Complexity
213
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
669333
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1292840
As reactant
uspto-grants-2007_07
Compound notes
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