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102676-88-0 | Benzonitrile, 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-
CAS No: 102676-88-0 Catalog No: AG00082K MDL No:
Product Description
Catalog Number:
AG00082K
Chemical Name:
Benzonitrile, 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-
CAS Number:
102676-88-0
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)benzonitrile
InChI:
InChI=1S/C13H11N3/c14-7-10-1-3-11(4-2-10)13-6-5-12-8-15-9-16(12)13/h1-4,8-9,13H,5-6H2
InChI Key:
OFLKLQLYJBMZHE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1CCc2n1cnc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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