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1234710-00-9 | 2-(3-azetidinyl)-1H-benzimidazole
CAS No: 1234710-00-9 Catalog No: AG00J2Q6 MDL No:MFCD20528834
Product Description
Catalog Number:
AG00J2Q6
Chemical Name:
2-(3-azetidinyl)-1H-benzimidazole
CAS Number:
1234710-00-9
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD20528834
IUPAC Name:
2-(azetidin-3-yl)-1H-benzimidazole
InChI:
InChI=1S/C10H11N3/c1-2-4-9-8(3-1)12-10(13-9)7-5-11-6-7/h1-4,7,11H,5-6H2,(H,12,13)
InChI Key:
UEPRLXODFILGGR-UHFFFAOYSA-N
SMILES:
N1CC(C1)c1nc2c([nH]1)cccc2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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