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89446-51-5 | 7-bromo-4-methylquinolin-2(1h)-one
CAS No: 89446-51-5 Catalog No: AG0042WJ MDL No:MFCD02159766
Product Description
Catalog Number:
AG0042WJ
Chemical Name:
7-bromo-4-methylquinolin-2(1h)-one
CAS Number:
89446-51-5
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD02159766
IUPAC Name:
7-bromo-4-methyl-1H-quinolin-2-one
InChI:
InChI=1S/C10H8BrNO/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,1H3,(H,12,13)
InChI Key:
VLVDHSVVOTZPAH-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(=O)cc2C
NSC Number:
159382
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:
1
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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