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Home > Imidazoles > 25373-49-3
25373-49-3 | 2-(1H-Imidazol-1-yl)benzonitrile
CAS No: 25373-49-3 Catalog No: AG006V3S MDL No:MFCD00127074
Product Description
Catalog Number:
AG006V3S
Chemical Name:
2-(1H-Imidazol-1-yl)benzonitrile
CAS Number:
25373-49-3
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD00127074
IUPAC Name:
2-imidazol-1-ylbenzonitrile
InChI:
InChI=1S/C10H7N3/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13/h1-6,8H
InChI Key:
MNKBJOSIVSQUBI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1n1cncc1
Properties
Complexity:
218
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:
0
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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