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Home > Bromides > 1198569-35-5
1198569-35-5 | Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-bromo-
CAS No: 1198569-35-5 Catalog No: AG000PRM MDL No:MFCD12406134
Product Description
Catalog Number:
AG000PRM
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-bromo-
CAS Number:
1198569-35-5
Molecular Formula:
C6H4BrN3O
Molecular Weight:
214.0195
MDL Number:
MFCD12406134
IUPAC Name:
3-bromo-4H-pyrazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C6H4BrN3O/c7-4-3-8-10-2-1-5(11)9-6(4)10/h1-3H,(H,9,11)
InChI Key:
ZBAOMHWFUFZVNN-UHFFFAOYSA-N
SMILES:
O=c1ccn2c([nH]1)c(Br)cn2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.022g/mol
Monoisotopic Mass:
212.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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