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111218-91-8 molecular structure
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2,6-dichloroquinazolin-4-amine

ChemBase ID: 802357
Molecular Formular: C8H5Cl2N3
Molecular Mass: 214.0514
Monoisotopic Mass: 212.98605254
SMILES and InChIs

SMILES:
c1(ccc2nc(nc(c2c1)N)Cl)Cl
Canonical SMILES:
Clc1ccc2c(c1)c(N)nc(n2)Cl
InChI:
InChI=1S/C8H5Cl2N3/c9-4-1-2-6-5(3-4)7(11)13-8(10)12-6/h1-3H,(H2,11,12,13)
InChIKey:
SQYVXXSSMNSOCS-UHFFFAOYSA-N

Cite this record

CBID:802357 http://www.chembase.cn/molecule-802357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloroquinazolin-4-amine
IUPAC Traditional name
2,6-dichloroquinazolin-4-amine
Synonyms
2,6-DICHLOROQUINAZOLIN-4-AMINE
CAS Number
111218-91-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18829 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18829 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) 2.7031548  LogD (pH = 7.4) 2.7031887 
Log P 2.7031891  Molar Refractivity 54.1178 cm3
Polarizability 21.05688 Å3 Polar Surface Area 51.8 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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