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130148-53-7 | 4(3H)-Quinazolinone, 2-amino-6-bromo-
CAS No: 130148-53-7 Catalog No: AG000U2S MDL No:MFCD16250251
Product Description
Catalog Number:
AG000U2S
Chemical Name:
4(3H)-Quinazolinone, 2-amino-6-bromo-
CAS Number:
130148-53-7
Molecular Formula:
C8H6BrN3O
Molecular Weight:
240.0567
MDL Number:
MFCD16250251
IUPAC Name:
2-amino-6-bromo-3H-quinazolin-4-one
InChI:
InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,(H3,10,11,12,13)
InChI Key:
BDPCBRSHZVHPKX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)[nH]c(n2)N
Properties
Complexity:
266
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.06g/mol
Monoisotopic Mass:
238.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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