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Home > Bromides > 1256353-15-7
1256353-15-7 | Pyrido[4,3-d]pyrimidin-4(3H)-one, 8-bromo-
CAS No: 1256353-15-7 Catalog No: AG000O37 MDL No:
Product Description
Catalog Number:
AG000O37
Chemical Name:
Pyrido[4,3-d]pyrimidin-4(3H)-one, 8-bromo-
CAS Number:
1256353-15-7
Molecular Formula:
C7H4BrN3O
Molecular Weight:
226.0302
IUPAC Name:
8-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H4BrN3O/c8-5-2-9-1-4-6(5)10-3-11-7(4)12/h1-3H,(H,10,11,12)
InChI Key:
LFHMLXRGCLNKJI-UHFFFAOYSA-N
SMILES:
Brc1cncc2c1nc[nH]c2=O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.033g/mol
Monoisotopic Mass:
224.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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