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2-bromoethyl-N-(2-ethoxyphenyl)carbamate

HCID 11162014
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL5657811CTFUIDHRICZGLN-UHFFFAOYSA-N2-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

Related reactions

2 records
New reaction record
HRID 669333 reaction equation
HRID 669333As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1292840 reaction equation
HRID 1292840As reactantuspto-grants-2007_07

Compound notes

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