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134322-01-3 molecular structure
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4-iodobenzene-1-carboximidamide hydrochloride

ChemBase ID: 812917
Molecular Formular: C7H8ClIN2
Molecular Mass: 282.50929
Monoisotopic Mass: 281.94207395
SMILES and InChIs

SMILES:
Cl.c1(ccc(cc1)I)C(=N)N
Canonical SMILES:
NC(=N)c1ccc(cc1)I.Cl
InChI:
InChI=1S/C7H7IN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKey:
LTHONTNMNUUXOD-UHFFFAOYSA-N

Cite this record

CBID:812917 http://www.chembase.cn/molecule-812917.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-iodobenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
4-iodobenzenecarboximidamide hydrochloride
Synonyms
4-IODO-BENZAMIDINE HYDROCHLORIDE
CAS Number
134322-01-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33684 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33684 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) -0.5926588  LogD (pH = 7.4) -0.58172476 
Log P 1.8226588  Molar Refractivity 61.093 cm3
Polarizability 19.17565 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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