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674793-32-9 molecular structure
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5-chloro-2-fluorobenzene-1-carboximidamide

ChemBase ID: 799599
Molecular Formular: C7H6ClFN2
Molecular Mass: 172.5873432
Monoisotopic Mass: 172.0203541
SMILES and InChIs

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

Cite this record

CBID:799599 http://www.chembase.cn/molecule-799599.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-fluorobenzene-1-carboximidamide
IUPAC Traditional name
5-chloro-2-fluorobenzenecarboximidamide
Synonyms
5-chloro-2-fluorobenzimidamide
CAS Number
674793-32-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14397 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14397 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) -0.7453811  LogD (pH = 7.4) 0.03716207 
Log P 1.6404608  Molar Refractivity 52.7517 cm3
Polarizability 15.625516 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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