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Home > Bromides > 1016878-52-6
1016878-52-6 | 2(1H)-Quinoxalinone, 7-bromo-3,4-dihydro-
CAS No: 1016878-52-6 Catalog No: AG00057C MDL No:MFCD09947551
Product Description
Catalog Number:
AG00057C
Chemical Name:
2(1H)-Quinoxalinone, 7-bromo-3,4-dihydro-
CAS Number:
1016878-52-6
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD09947551
IUPAC Name:
7-bromo-3,4-dihydro-1H-quinoxalin-2-one
InChI:
InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChI Key:
ZITQQDFTRWZLSH-UHFFFAOYSA-N
SMILES:
Brc1cc2NC(=O)CNc2cc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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