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123377-20-8 | 1H-Benzotriazolium, 1-(1,3-dimethyl-2-imidazolidinylidene)-, 3-oxide, hexafluorophosphate(1-) (1:1)
CAS No: 123377-20-8 Catalog No: AG000KH0 MDL No:
Product Description
Catalog Number:
AG000KH0
Chemical Name:
1H-Benzotriazolium, 1-(1,3-dimethyl-2-imidazolidinylidene)-, 3-oxide, hexafluorophosphate(1-) (1:1)
CAS Number:
123377-20-8
Molecular Formula:
C11H16N5O+
Molecular Weight:
234.2776
IUPAC Name:
1-(1,3-dimethylimidazolidin-1-ium-2-yl)oxybenzotriazole
InChI:
InChI=1S/C11H15N5O/c1-14-7-8-15(2)11(14)17-16-10-6-4-3-5-9(10)12-13-16/h3-6,11H,7-8H2,1-2H3/p+1
InChI Key:
NOFZMNUYEFQMBS-UHFFFAOYSA-O
SMILES:
CN1CC[NH+](C1On1nnc2c1cccc2)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.135g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.283g/mol
Monoisotopic Mass:
234.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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