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33930-63-1 | 4-Bromo-2-methylisoquinolin-1(2H);-one
CAS No: 33930-63-1 Catalog No: AG003KX9 MDL No:MFCD00489133
Product Description
Catalog Number:
AG003KX9
Chemical Name:
4-Bromo-2-methylisoquinolin-1(2H);-one
CAS Number:
33930-63-1
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD00489133
IUPAC Name:
4-bromo-2-methylisoquinolin-1-one
InChI:
InChI=1S/C10H8BrNO/c1-12-6-9(11)7-4-2-3-5-8(7)10(12)13/h2-6H,1H3
InChI Key:
YCYRWLPOFCNZPY-UHFFFAOYSA-N
SMILES:
Cn1cc(Br)c2c(c1=O)cccc2
NSC Number:
218343
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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