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477844-52-3 molecular structure
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3-chloro-4-fluorobenzene-1-carboximidamide hydrochloride

ChemBase ID: 236230
Molecular Formular: C7H7Cl2FN2
Molecular Mass: 209.0482832
Monoisotopic Mass: 207.99703181
SMILES and InChIs

SMILES:
C(=N)(c1cc(c(cc1)F)Cl)N.Cl
Canonical SMILES:
NC(=N)c1ccc(c(c1)Cl)F.Cl
InChI:
InChI=1S/C7H6ClFN2.ClH/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3H,(H3,10,11);1H
InChIKey:
ULILWMICXIRTJP-UHFFFAOYSA-N

Cite this record

CBID:236230 http://www.chembase.cn/molecule-236230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-4-fluorobenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
3-chloro-4-fluorobenzenecarboximidamide hydrochloride
Synonyms
3-chloro-4-fluorobenzene-1-carboximidamide hydrochloride
3-CHLORO-4-FLUORO-BENZAMIDINE HYDROCHLORIDE
CAS Number
477844-52-3
MDL Number
MFCD00663597
PubChem SID
164292140
PubChem CID
2730160

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2730160 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7747621  LogD (pH = 7.4) -0.75665784 
Log P 1.6404608  Molar Refractivity 52.7517 cm3
Polarizability 15.65273 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
203 - 205°C expand Show data source
Hydrophobicity(logP)
1.709 expand Show data source
Purity
95% expand Show data source
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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