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915920-68-2 molecular structure
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2-(2-bromophenoxy)propanamide

ChemBase ID: 312317
Molecular Formular: C9H10BrNO2
Molecular Mass: 244.0852
Monoisotopic Mass: 242.98949057
SMILES and InChIs

SMILES:
C(=O)(C(Oc1c(Br)cccc1)C)N
Canonical SMILES:
NC(=O)C(Oc1ccccc1Br)C
InChI:
InChI=1S/C9H10BrNO2/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H2,11,12)
InChIKey:
FVIIVIULKTZXPI-UHFFFAOYSA-N

Cite this record

CBID:312317 http://www.chembase.cn/molecule-312317.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-bromophenoxy)propanamide
IUPAC Traditional name
2-(2-bromophenoxy)propanamide
Synonyms
2-(2-bromophenoxy)propanamide
CAS Number
915920-68-2
MDL Number
MFCD08691896

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) 1.8241321  LogD (pH = 7.4) 1.8241322 
Log P 1.8241321  Molar Refractivity 52.5447 cm3
Polarizability 20.618668 Å3 Polar Surface Area 52.32 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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