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147149-89-1 | 4(1H)-Quinazolinone, 2-amino-5-bromo-6-methyl-
CAS No: 147149-89-1 Catalog No: AG001EO6 MDL No:
Product Description
Catalog Number:
AG001EO6
Chemical Name:
4(1H)-Quinazolinone, 2-amino-5-bromo-6-methyl-
CAS Number:
147149-89-1
Molecular Formula:
C9H8BrN3O
Molecular Weight:
254.0833
IUPAC Name:
2-amino-5-bromo-6-methyl-3H-quinazolin-4-one
InChI:
InChI=1S/C9H8BrN3O/c1-4-2-3-5-6(7(4)10)8(14)13-9(11)12-5/h2-3H,1H3,(H3,11,12,13,14)
InChI Key:
NLYAFCDSBNSHPU-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1Br)c(=O)nc([nH]2)N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.087g/mol
Monoisotopic Mass:
252.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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