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5426-59-5

5426-59-5 | 6-Bromo-2-methylquinazolin-4(3H)-one

CAS No: 5426-59-5 Catalog No: AG0038NT MDL No:MFCD00548197

Product Description

Catalog Number:
AG0038NT
Chemical Name:
6-Bromo-2-methylquinazolin-4(3H)-one
CAS Number:
5426-59-5
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD00548197
IUPAC Name:
6-bromo-2-methyl-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7BrN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChI Key:
MNYWPPKPTICBPZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)nc([nH]2)C
NSC Number:
14293

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  

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