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114417-34-4 | 4(1H)-Quinolinone, 7-bromo-2,3-dihydro-
CAS No: 114417-34-4 Catalog No: AG000BA9 MDL No:MFCD12028725
Product Description
Catalog Number:
AG000BA9
Chemical Name:
4(1H)-Quinolinone, 7-bromo-2,3-dihydro-
CAS Number:
114417-34-4
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD12028725
IUPAC Name:
7-bromo-2,3-dihydro-1H-quinolin-4-one
InChI:
InChI=1S/C9H8BrNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-2,5,11H,3-4H2
InChI Key:
MZRDGUADMZHLRW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)NCCC2=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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