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304867-43-4 molecular structure
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2,6-difluorobenzene-1-carboximidamide hydrochloride

ChemBase ID: 812894
Molecular Formular: C7H7ClF2N2
Molecular Mass: 192.5936864
Monoisotopic Mass: 192.02658235
SMILES and InChIs

SMILES:
Cl.c1(c(cccc1F)F)C(=N)N
Canonical SMILES:
NC(=N)c1c(F)cccc1F.Cl
InChI:
InChI=1S/C7H6F2N2.ClH/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H3,10,11);1H
InChIKey:
VXPYBFCNRRWUHE-UHFFFAOYSA-N

Cite this record

CBID:812894 http://www.chembase.cn/molecule-812894.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-difluorobenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
2,6-difluorobenzenecarboximidamide hydrochloride
Synonyms
2,6-DIFLUORO-BENZAMIDINE HYDROCHLORIDE
CAS Number
304867-43-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33650 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33650 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) -0.7208801  LogD (pH = 7.4) 0.7974748 
Log P 1.1791182  Molar Refractivity 48.1633 cm3
Polarizability 13.475422 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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