6-Bromo-8-methoxyquinazolin-2(1H)-one - CAS 953039-13-9

Catalog:	BB044484
Product Name:	6-Bromo-8-methoxyquinazolin-2(1H)-one
CAS:	953039-13-9
Synonyms:	2(1H)-Quinazolinone, 6-bromo-8-methoxy-; 6-Bromo-8-methoxy-2(1h)-quinazolinone; 6-Bromo-8-methoxy-quinazolin-2-ol

Technical Data

Computed Properties

IUPAC Name:	6-bromo-8-methoxy-1H-quinazolin-2-one
Description:	6-Bromo-8-methoxyquinazolin-2(1H)-one (CAS# 953039-13-9 ) is a useful research chemical.
Molecular Weight:	255.07
Molecular Formula:	C9H7BrN2O2
Canonical SMILES:	COC1=CC(=CC2=C1NC(=O)N=C2)Br
InChI:	InChI=1S/C9H7BrN2O2/c1-14-7-3-6(10)2-5-4-11-9(13)12-8(5)7/h2-4H,1H3,(H,11,12,13)
InChI Key:	HVFYLIKECNEGDI-UHFFFAOYSA-N
Boiling Point:	464.5±48.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.75±0.1 g/cm³ (Predicted)

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Related Functional Groups

Halides

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[111-85-3]
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Oxygen Compounds

[544-62-7]
Batyl alcohol
[5896-75-3]
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[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[5416-55-7]
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Quinazolines

[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[19062-39-6]
4(3H)-Quinazolinone, 3-amino-2-hydrazino-
[20197-97-1]
2-Chloro-6-methoxyquinazolin-4(3H)-one
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[37793-53-6]
N10-(Trifluoroacetyl)pteroic acid

Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.96909
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.96909
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4