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120040-42-8 | Pyrido[2,3-d]pyrimidin-4(3H)-one, 2-amino-6-bromo-
CAS No: 120040-42-8 Catalog No: AG000Q5V MDL No:MFCD09910160
Product Description
Catalog Number:
AG000Q5V
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(3H)-one, 2-amino-6-bromo-
CAS Number:
120040-42-8
Molecular Formula:
C7H5BrN4O
Molecular Weight:
241.0448
MDL Number:
MFCD09910160
IUPAC Name:
2-amino-6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H5BrN4O/c8-3-1-4-5(10-2-3)11-7(9)12-6(4)13/h1-2H,(H3,9,10,11,12,13)
InChI Key:
NEKHFIILORMMHG-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(=O)[nH]c(n2)N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.048g/mol
Monoisotopic Mass:
239.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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