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174125-51-0 | Spiro[azetidine-2,2'(3'H)-[1H]pyrrolo[1,2-a]benzimidazole] (9CI)
CAS No: 174125-51-0 Catalog No: AG001ZH3 MDL No:
Product Description
Catalog Number:
AG001ZH3
Chemical Name:
Spiro[azetidine-2,2'(3'H)-[1H]pyrrolo[1,2-a]benzimidazole] (9CI)
CAS Number:
174125-51-0
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
IUPAC Name:
spiro[1,3-dihydropyrrolo[1,2-a]benzimidazole-2,2'-azetidine]
InChI:
InChI=1S/C12H13N3/c1-2-4-10-9(3-1)14-11-7-12(5-6-13-12)8-15(10)11/h1-4,13H,5-8H2
InChI Key:
URCSWRWKCOJOGW-UHFFFAOYSA-N
SMILES:
C1CC2(N1)Cn1c(C2)nc2c1cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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