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3797-81-7 molecular structure
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2,6-dichlorobenzene-1-carboximidamide hydrochloride

ChemBase ID: 812918
Molecular Formular: C7H7Cl3N2
Molecular Mass: 225.50288
Monoisotopic Mass: 223.96748127
SMILES and InChIs

SMILES:
Cl.c1(c(cccc1Cl)Cl)C(=N)N
Canonical SMILES:
NC(=N)c1c(Cl)cccc1Cl.Cl
InChI:
InChI=1S/C7H6Cl2N2.ClH/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H3,10,11);1H
InChIKey:
XSQXZSIWHQCGMM-UHFFFAOYSA-N

Cite this record

CBID:812918 http://www.chembase.cn/molecule-812918.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichlorobenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
2,6-dichlorobenzenecarboximidamide hydrochloride
Synonyms
2,6-DICHLORO-BENZAMIDINE HYDROCHLORIDE
CAS Number
3797-81-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33685 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33685 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.28407568  LogD (pH = 7.4) 0.4980361 
Log P 2.1018035  Molar Refractivity 57.3401 cm3
Polarizability 17.82481 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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