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Home > Bromides > 1414956-67-4
1414956-67-4 | 4(1H)-Cinnolinone, 7-bromo-
CAS No: 1414956-67-4 Catalog No: AG001GHD MDL No:MFCD28040482
Product Description
Catalog Number:
AG001GHD
Chemical Name:
4(1H)-Cinnolinone, 7-bromo-
CAS Number:
1414956-67-4
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD28040482
IUPAC Name:
7-bromo-1H-cinnolin-4-one
InChI:
InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)11-10-4-8(6)12/h1-4H,(H,11,12)
InChI Key:
DUUMGNXHYRVJTC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]ncc2=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:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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