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18637-02-0 molecular structure
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2-chlorobenzene-1-carboximidamide

ChemBase ID: 113067
Molecular Formular: C7H7ClN2
Molecular Mass: 154.59688
Monoisotopic Mass: 154.02977591
SMILES and InChIs

SMILES:
c1(C(=N)N)c(Cl)cccc1
Canonical SMILES:
NC(=N)c1ccccc1Cl
InChI:
InChI=1S/C7H7ClN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
InChIKey:
MXVMRHIWTSFDPU-UHFFFAOYSA-N

Cite this record

CBID:113067 http://www.chembase.cn/molecule-113067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chlorobenzene-1-carboximidamide
IUPAC Traditional name
2-chlorobenzenecarboximidamide
Synonyms
2-chlorobenzene-1-carboximidamide
2-Chloro-benzamidine
CAS Number
18637-02-0
45743-05-3
PubChem SID
162097624
PubChem CID
2740918

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2740918 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.91582006  LogD (pH = 7.4) -0.78926647 
Log P 1.497759  Molar Refractivity 52.5353 cm3
Polarizability 15.897959 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
>97% expand Show data source
97% 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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