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19062-51-2

19062-51-2 | 4(3H)-Quinazolinone, 2-(bromomethyl)-

CAS No: 19062-51-2 Catalog No: AG002EO9 MDL No:

Product Description

Catalog Number:
AG002EO9
Chemical Name:
4(3H)-Quinazolinone, 2-(bromomethyl)-
CAS Number:
19062-51-2
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
IUPAC Name:
2-(bromomethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7BrN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-4H,5H2,(H,11,12,13)
InChI Key:
RWRLZXCEYLXJSO-UHFFFAOYSA-N
SMILES:
BrCc1nc2ccccc2c(=O)[nH]1
NSC Number:
90849

Properties

Complexity:
252  
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:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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