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Home > Imidazoles > 98298-49-8
98298-49-8 | Benzonitrile, 4-(1H-imidazol-2-yl)-
CAS No: 98298-49-8 Catalog No: AG00IK2C MDL No:MFCD05863386
Product Description
Catalog Number:
AG00IK2C
Chemical Name:
Benzonitrile, 4-(1H-imidazol-2-yl)-
CAS Number:
98298-49-8
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD05863386
IUPAC Name:
4-(1H-imidazol-2-yl)benzonitrile
InChI:
InChI=1S/C10H7N3/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-6H,(H,12,13)
InChI Key:
ISJCKCQDMBPKML-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ncc[nH]1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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