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Home > Bromides > 1821827-53-5
1821827-53-5 | (R)-7-BROMO-3,4-DIHYDRO-3-METHYLQUINOXALIN-2(1H)-ONE
CAS No: 1821827-53-5 Catalog No: AG01EL6B MDL No:MFCD22380766
Product Description
Catalog Number:
AG01EL6B
Chemical Name:
(R)-7-BROMO-3,4-DIHYDRO-3-METHYLQUINOXALIN-2(1H)-ONE
CAS Number:
1821827-53-5
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
MDL Number:
MFCD22380766
IUPAC Name:
(3R)-7-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
InChI:
InChI=1S/C9H9BrN2O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13)/t5-/m1/s1
InChI Key:
KIVJGGNEHZDPNV-RXMQYKEDSA-N
SMILES:
O=C1Nc2cc(Br)ccc2N[C@@H]1C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.088g/mol
Monoisotopic Mass:
239.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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