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797030-57-0 | Urea,N-(3,4-dihydro-7-methyl-3-oxo-2-quinoxalinyl)-
CAS No: 797030-57-0 Catalog No: AG005IMC MDL No:
Product Description
Catalog Number:
AG005IMC
Chemical Name:
Urea,N-(3,4-dihydro-7-methyl-3-oxo-2-quinoxalinyl)-
CAS Number:
797030-57-0
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
(7-methyl-3-oxo-4H-quinoxalin-2-yl)urea
InChI:
InChI=1S/C10H10N4O2/c1-5-2-3-6-7(4-5)12-8(9(15)13-6)14-10(11)16/h2-4H,1H3,(H,13,15)(H3,11,12,14,16)
InChI Key:
LASUZMCNLLNRKZ-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1nc2cc(C)ccc2[nH]c1=O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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