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tert-butyl N-(4-iodo-1-methoxybutan-2-yl)carbamate

HCID 90899608
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COCC(CCI)NC(=O)OC(C)(C)C
InChIKey
YEKZPAUFTXOYOM-UHFFFAOYSA-N
Molecular formula
C10H20INO3
Average molar mass
329.18 g/mol

Names & identifiers

Preferred name
tert-butyl N-(4-iodo-1-methoxybutan-2-yl)carbamate
IUPAC
tert-butyl N-(4-iodo-1-methoxybutan-2-yl)carbamate

Database identifiers

PubChem CID
90899608

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
15
Formal charge
0
Complexity
192

Related reactions

1 records
New reaction record
HRID 104138 reaction equation
HRID 104138As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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