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142168-97-6 | Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 6-bromo-
CAS No: 142168-97-6 Catalog No: AG001HWE MDL No:MFCD08234711
Product Description
Catalog Number:
AG001HWE
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 6-bromo-
CAS Number:
142168-97-6
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD08234711
IUPAC Name:
6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)10-7(13)11-6(4)12/h1-2H,(H2,9,10,11,12,13)
InChI Key:
NVEZTQHZGXJZFC-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(=O)[nH]c(=O)[nH]2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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