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Compound
N-tert-butyl 3-bromopropanamide
HCID
20073504
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
CC(C)(C)NC(=O)CCBr
InChIKey
PGIMSAROXCGJAZ-UHFFFAOYSA-N
Molecular formula
C7H14BrNO
Average molar mass
208.1 g/mol
Names & identifiers
Preferred name
N-tert-butyl 3-bromopropanamide
IUPAC
3-bromo-N-tert-butylpropanamide
Names & synonyms
SCHEMBL8445382
N-tert-butyl 3-bromopropanamide
SCHEMBL11601173
PGIMSAROXCGJAZ-UHFFFAOYSA-N
Database identifiers
PubChem CID
20073504
Properties
Computed structural properties
XLogP
1.2
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
10
Formal charge
0
Complexity
117
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
699260
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
704896
As product
uspto-grants-1991_01
Compound notes
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