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474710-78-6 molecular structure
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methyl 6-bromoquinazoline-4-carboxylate

ChemBase ID: 293361
Molecular Formular: C10H7BrN2O2
Molecular Mass: 267.07878
Monoisotopic Mass: 265.96908947
SMILES and InChIs

SMILES:
O=C(c1c2cc(Br)ccc2ncn1)OC
Canonical SMILES:
COC(=O)c1ncnc2c1cc(Br)cc2
InChI:
InChI=1S/C10H7BrN2O2/c1-15-10(14)9-7-4-6(11)2-3-8(7)12-5-13-9/h2-5H,1H3
InChIKey:
AEWGSIACZRIQON-UHFFFAOYSA-N

Cite this record

CBID:293361 http://www.chembase.cn/molecule-293361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 6-bromoquinazoline-4-carboxylate
IUPAC Traditional name
methyl 6-bromoquinazoline-4-carboxylate
Synonyms
Methyl 6-bromoquinazoline-4-carboxylate
CAS Number
474710-78-6
PubChem SID
180678892
PubChem CID
22031300

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD261849 Please log in.
Data Source Data ID
PubChem 22031300 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3831422  LogD (pH = 7.4) 2.3831425 
Log P 2.3831425  Molar Refractivity 58.0766 cm3
Polarizability 23.288998 Å3 Polar Surface Area 52.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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