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22531-59-5 molecular structure
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5-bromonaphthalene-1-carboxamide

ChemBase ID: 308834
Molecular Formular: C11H8BrNO
Molecular Mass: 250.09132
Monoisotopic Mass: 248.97892588
SMILES and InChIs

SMILES:
c12c(C(=O)N)cccc1c(Br)ccc2
Canonical SMILES:
NC(=O)c1cccc2c1cccc2Br
InChI:
InChI=1S/C11H8BrNO/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H2,13,14)
InChIKey:
LACXAOKQABXJRX-UHFFFAOYSA-N

Cite this record

CBID:308834 http://www.chembase.cn/molecule-308834.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromonaphthalene-1-carboxamide
IUPAC Traditional name
5-bromonaphthalene-1-carboxamide
Synonyms
5-bromo-1-naphthamide
CAS Number
22531-59-5
MDL Number
MFCD12198491

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5821152  LogD (pH = 7.4) 2.5821154 
Log P 2.5821154  Molar Refractivity 59.2094 cm3
Polarizability 23.363367 Å3 Polar Surface Area 43.09 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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