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129686-16-4 | 1,8-Naphthyridin-2(1H)-one, 6-bromo-3,4-dihydro-
CAS No: 129686-16-4 Catalog No: AG000TKS MDL No:MFCD05664027
Product Description
Catalog Number:
AG000TKS
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 6-bromo-3,4-dihydro-
CAS Number:
129686-16-4
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD05664027
IUPAC Name:
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one
InChI:
InChI=1S/C8H7BrN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h3-4H,1-2H2,(H,10,11,12)
InChI Key:
VJEOGGNIBLORIJ-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ncc(c2)Br
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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