Home Halogens 3-amino-6-bromo-3,4-dihydroquinazolin-4-one

3-amino-6-bromo-3,4-dihydroquinazolin-4-one

CAS No.:
96498-79-2
Catalog Number:
AG019PIB
Molecular Formula:
C8H6BrN3O
Molecular Weight:
240.0567
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Product Description
Catalog Number:
AG019PIB
Chemical Name:
3-amino-6-bromo-3,4-dihydroquinazolin-4-one
CAS Number:
96498-79-2
Molecular Formula:
C8H6BrN3O
Molecular Weight:
240.0567
MDL Number:
MFCD07838463
IUPAC Name:
3-amino-6-bromoquinazolin-4-one
InChI:
InChI=1S/C8H6BrN3O/c9-5-1-2-7-6(3-5)8(13)12(10)4-11-7/h1-4H,10H2
InChI Key:
KAUIMEGESZUAKR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)n(cn2)N
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.06g/mol
Monoisotopic Mass:
238.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties