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3-(3-bromophenyl)-N-cyclopropylprop-2-enamide

HCID 822006
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Basic information

Standard SMILES
O=C(C=Cc1cccc(Br)c1)NC1CC1
InChIKey
VJMVNRGWCFKKJO-UHFFFAOYSA-N
Molecular formula
C12H12BrNO
Average molar mass
266.13 g/mol
Monoisotopic mass
265.01023

Names & identifiers

Preferred name
3-(3-bromophenyl)-N-cyclopropylprop-2-enamide
IUPAC
3-(3-bromophenyl)-N-cyclopropylprop-2-enamide

Names & synonyms

SCHEMBL11411174AKOS017261731

Database identifiers

PubChem CID
822006

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
260

Related reactions

1 records
New reaction record
HRID 145666 reaction equation
HRID 145666As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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