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915921-40-3 molecular structure
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N-[(2-bromophenyl)methyl]propanamide

ChemBase ID: 312327
Molecular Formular: C10H12BrNO
Molecular Mass: 242.11238
Monoisotopic Mass: 241.01022601
SMILES and InChIs

SMILES:
c1(CNC(=O)CC)c(Br)cccc1
Canonical SMILES:
CCC(=O)NCc1ccccc1Br
InChI:
InChI=1S/C10H12BrNO/c1-2-10(13)12-7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey:
YGXLEXDBURIQHW-UHFFFAOYSA-N

Cite this record

CBID:312327 http://www.chembase.cn/molecule-312327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-bromophenyl)methyl]propanamide
IUPAC Traditional name
N-[(2-bromophenyl)methyl]propanamide
Synonyms
N-(2-bromobenzyl)propanamide
CAS Number
915921-40-3
MDL Number
MFCD08569830

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 9070730 external link Add to cart
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) 2.3871493  LogD (pH = 7.4) 2.3871493 
Log P 2.3871493  Molar Refractivity 56.2249 cm3
Polarizability 21.676447 Å3 Polar Surface Area 29.1 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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