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1187927-09-8 molecular structure
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4-chloro-2-fluorobenzene-1-carboximidamide hydrochloride

ChemBase ID: 812902
Molecular Formular: C7H7Cl2FN2
Molecular Mass: 209.0482832
Monoisotopic Mass: 207.99703181
SMILES and InChIs

SMILES:
Cl.c1(c(cc(cc1)Cl)F)C(=N)N
Canonical SMILES:
Clc1ccc(c(c1)F)C(=N)N.Cl
InChI:
InChI=1S/C7H6ClFN2.ClH/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,(H3,10,11);1H
InChIKey:
ZYSUCPSLKDRMHS-UHFFFAOYSA-N

Cite this record

CBID:812902 http://www.chembase.cn/molecule-812902.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-fluorobenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
4-chloro-2-fluorobenzenecarboximidamide hydrochloride
Synonyms
4-CHLORO-2-FLUORO-BENZAMIDINE HYDROCHLORIDE
CAS Number
1187927-09-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33665 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33665 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) -0.75963074  LogD (pH = 7.4) -0.19178213 
Log P 1.6404608  Molar Refractivity 52.7517 cm3
Polarizability 15.631862 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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