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147227-58-5 | 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidine-2,4-dione
CAS No: 147227-58-5 Catalog No: AG01EU7F MDL No:
Product Description
Catalog Number:
AG01EU7F
Chemical Name:
1-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidine-2,4-dione
CAS Number:
147227-58-5
Molecular Formula:
C10H9N5O2
Molecular Weight:
231.2108
IUPAC Name:
1-(benzotriazol-1-ylmethyl)imidazolidine-2,4-dione
InChI:
InChI=1S/C10H9N5O2/c16-9-5-14(10(17)11-9)6-15-8-4-2-1-3-7(8)12-13-15/h1-4H,5-6H2,(H,11,16,17)
InChI Key:
IXMWBZZJDWUEJK-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)N(C1)Cn1nnc2c1cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.215g/mol
Monoisotopic Mass:
231.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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