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155690-79-2 | Pyrido[2,3-d]pyrimidin-4(3H)-one, 6-bromo-
CAS No: 155690-79-2 Catalog No: AG001O3Z MDL No:MFCD14546963
Product Description
Catalog Number:
AG001O3Z
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(3H)-one, 6-bromo-
CAS Number:
155690-79-2
Molecular Formula:
C7H4BrN3O
Molecular Weight:
226.0302
MDL Number:
MFCD14546963
IUPAC Name:
6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H4BrN3O/c8-4-1-5-6(9-2-4)10-3-11-7(5)12/h1-3H,(H,9,10,11,12)
InChI Key:
CEIXKKYHWOYPLV-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(=O)[nH]cn2
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:
0.7
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