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N-tert-butyl 3-bromopropanamide

HCID 20073504
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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

SCHEMBL8445382N-tert-butyl 3-bromopropanamideSCHEMBL11601173PGIMSAROXCGJAZ-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

Related reactions

2 records
New reaction record
HRID 699260 reaction equation
HRID 699260As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 704896 reaction equation
HRID 704896As productuspto-grants-1991_01

Compound notes

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