Home Halogens 4(3H)-Quinazolinone, 5-bromo-2-methyl-

4(3H)-Quinazolinone, 5-bromo-2-methyl-

CAS No.:
1823954-54-6
Catalog Number:
AG0023TH
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
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Product Description
Catalog Number:
AG0023TH
Chemical Name:
4(3H)-Quinazolinone, 5-bromo-2-methyl-
CAS Number:
1823954-54-6
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD27923453
IUPAC Name:
5-bromo-2-methyl-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7BrN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChI Key:
ILRFUSPBOWEAQY-UHFFFAOYSA-N
SMILES:
Cc1nc2cccc(c2c(=O)[nH]1)Br
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties