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N-[4-(allyloxy)phenyl]-5-bromo-2-furamide

HCID 178933366
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Basic information

CAS
881549-60-6
Standard SMILES
C=CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIKey
QSEAJWMQHWGGNC-UHFFFAOYSA-N
Molecular formula
C14H12BrNO3
Average molar mass
322.15 g/mol

Names & identifiers

Preferred name
N-[4-(allyloxy)phenyl]-5-bromo-2-furamide
IUPAC
5-bromo-N-(4-prop-2-enoxyphenyl)furan-2-carboxamide
English name
N-[4-(allyloxy)phenyl]-5-bromo-2-furamide
Molecular formula
C14H12BrNO3
Molecular weight
322.15

Names & synonyms

N-[4-(allyloxy)phenyl]-5-bromo-2-furamide5-bromo-N-(4-prop-2-enoxyphenyl)furan-2-carboxamideSTK248662AKOS000501020ST45048871AN-329/43385839(5-bromo(2-furyl))-N-(4-prop-2-enyloxyphenyl)carboxamide5-bromo-N-[4-(prop-2-en-1-yloxy)phenyl]furan-2-carboxamide881549-60-62-Furancarboxamide, 5-bromo-N-[4-(2-propen-1-yloxy)phenyl]-

Database identifiers

CAS
881549-60-6

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
51.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
316

Physicochemical properties

Boiling point
350.5 · 350.5±42.0 °C(Predicted)
Density
1.468 · 1.468±0.06 g/cm3(Predicted)
pka
11.68 · 11.68±0.70(Predicted)

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