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474651-29-1 | SODIUM OXO-IMINO-(1-METHYL-1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE
CAS No: 474651-29-1 Catalog No: AG01AQ43 MDL No:MFCD02669626
Product Description
Catalog Number:
AG01AQ43
Chemical Name:
SODIUM OXO-IMINO-(1-METHYL-1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE
CAS Number:
474651-29-1
Molecular Formula:
C10H7N4NaO
Molecular Weight:
222.1785
MDL Number:
MFCD02669626
IUPAC Name:
3-(1-methylbenzimidazol-2-yl)oxaziridine-3-carbonitrile;sodium
InChI:
InChI=1S/C10H8N4O.Na/c1-14-8-5-3-2-4-7(8)12-9(14)10(6-11)13-15-10;/h2-5,13H,1H3;
InChI Key:
YHEISTHATWLQHT-UHFFFAOYSA-N
SMILES:
[O-]N=C(c1nc2c(n1C)cccc2)C#N.[Na+]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.191g/mol
Monoisotopic Mass:
223.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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