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81494-04-4 molecular structure
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2-chloro-N-[(2-methoxyphenyl)methyl]acetamide

ChemBase ID: 310745
Molecular Formular: C10H12ClNO2
Molecular Mass: 213.66078
Monoisotopic Mass: 213.05565631
SMILES and InChIs

SMILES:
c1(CNC(=O)CCl)c(OC)cccc1
Canonical SMILES:
ClCC(=O)NCc1ccccc1OC
InChI:
InChI=1S/C10H12ClNO2/c1-14-9-5-3-2-4-8(9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey:
QUPFOFYYZHSFDJ-UHFFFAOYSA-N

Cite this record

CBID:310745 http://www.chembase.cn/molecule-310745.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-[(2-methoxyphenyl)methyl]acetamide
IUPAC Traditional name
2-chloro-N-[(2-methoxyphenyl)methyl]acetamide
Synonyms
2-chloro-N-(2-methoxybenzyl)acetamide
CAS Number
81494-04-4
MDL Number
MFCD00752501

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2975334  LogD (pH = 7.4) 1.297532 
Log P 1.2975334  Molar Refractivity 55.1916 cm3
Polarizability 21.423811 Å3 Polar Surface Area 38.33 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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