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85893-87-4 molecular structure
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2-chloro-3-methoxyaniline hydrochloride

ChemBase ID: 91352
Molecular Formular: C7H9Cl2NO
Molecular Mass: 194.05846
Monoisotopic Mass: 193.00611927
SMILES and InChIs

SMILES:
Nc1c(c(ccc1)OC)Cl.Cl
Canonical SMILES:
COc1cccc(c1Cl)N.Cl
InChI:
InChI=1S/C7H8ClNO.ClH/c1-10-6-4-2-3-5(9)7(6)8;/h2-4H,9H2,1H3;1H
InChIKey:
FFLQWMDYINEUQC-UHFFFAOYSA-N

Cite this record

CBID:91352 http://www.chembase.cn/molecule-91352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-methoxyaniline hydrochloride
IUPAC Traditional name
2-chloro-3-methoxyaniline hydrochloride
Synonyms
3-Amino-2-chloroanisole hydrochloride
2-Chloro-m-anisidine
2-Chloro-3-methoxyaniline hydrochloride
CAS Number
85893-87-4
PubChem SID
162078051
PubChem CID
24820130

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR70133 external link Add to cart Please log in.
Data Source Data ID
PubChem 24820130 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5902307  LogD (pH = 7.4) 1.5906874 
Log P 1.5906932  Molar Refractivity 42.0264 cm3
Polarizability 15.886599 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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