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885277-89-4 molecular structure
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2-(4-bromophenyl)-4-chloro-5-methylquinazoline

ChemBase ID: 812109
Molecular Formular: C15H10BrClN2
Molecular Mass: 333.6103
Monoisotopic Mass: 331.97158801
SMILES and InChIs

SMILES:
c1ccc2nc(nc(c2c1C)Cl)c1ccc(cc1)Br
Canonical SMILES:
Brc1ccc(cc1)c1nc(Cl)c2c(n1)cccc2C
InChI:
InChI=1S/C15H10BrClN2/c1-9-3-2-4-12-13(9)14(17)19-15(18-12)10-5-7-11(16)8-6-10/h2-8H,1H3
InChIKey:
CWIAZOVNENXTCE-UHFFFAOYSA-N

Cite this record

CBID:812109 http://www.chembase.cn/molecule-812109.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-bromophenyl)-4-chloro-5-methylquinazoline
IUPAC Traditional name
2-(4-bromophenyl)-4-chloro-5-methylquinazoline
Synonyms
2-(4-BROMO-PHENYL)-4-CHLORO-5-METHYL-QUINAZOLINE
CAS Number
885277-89-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31836 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31836 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) 5.915123  LogD (pH = 7.4) 5.915185 
Log P 5.915186  Molar Refractivity 92.7417 cm3
Polarizability 32.6886 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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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