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1006047-63-7 molecular structure
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2,4,6-trifluorobenzene-1-carboximidamide hydrochloride

ChemBase ID: 812911
Molecular Formular: C7H6ClF3N2
Molecular Mass: 210.5841496
Monoisotopic Mass: 210.01716054
SMILES and InChIs

SMILES:
Cl.c1(c(cc(cc1F)F)F)C(=N)N
Canonical SMILES:
NC(=N)c1c(F)cc(cc1F)F.Cl
InChI:
InChI=1S/C7H5F3N2.ClH/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2H,(H3,11,12);1H
InChIKey:
VVYHITITVIAWFL-UHFFFAOYSA-N

Cite this record

CBID:812911 http://www.chembase.cn/molecule-812911.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4,6-trifluorobenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
2,4,6-trifluorobenzenecarboximidamide hydrochloride
Synonyms
2,4,6-TRIFLUORO-BENZAMIDINE HYDROCHLORIDE
CAS Number
1006047-63-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33678 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33678 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) -0.60682124  LogD (pH = 7.4) 0.9151541 
Log P 1.3218201  Molar Refractivity 48.3797 cm3
Polarizability 13.341851 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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