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Home > Bromides > 1198413-17-0
1198413-17-0 | 1,8-Naphthyridin-4(1H)-one, 7-bromo-
CAS No: 1198413-17-0 Catalog No: AG000PQY MDL No:MFCD13193565
Product Description
Catalog Number:
AG000PQY
Chemical Name:
1,8-Naphthyridin-4(1H)-one, 7-bromo-
CAS Number:
1198413-17-0
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD13193565
IUPAC Name:
7-bromo-1H-1,8-naphthyridin-4-one
InChI:
InChI=1S/C8H5BrN2O/c9-7-2-1-5-6(12)3-4-10-8(5)11-7/h1-4H,(H,10,11,12)
InChI Key:
PEXOJPNXNILGIR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(n1)[nH]ccc2=O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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