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Home > Imidazoles > 594813-32-8
594813-32-8 | 2-HYDROXY-4-IMIDAZOL-1-YL-BENZONITRILE
CAS No: 594813-32-8 Catalog No: AG00EFJN MDL No:
Product Description
Catalog Number:
AG00EFJN
Chemical Name:
2-HYDROXY-4-IMIDAZOL-1-YL-BENZONITRILE
CAS Number:
594813-32-8
IUPAC Name:
2-hydroxy-4-imidazol-1-ylbenzonitrile
InChI:
InChI=1S/C10H7N3O/c11-6-8-1-2-9(5-10(8)14)13-4-3-12-7-13/h1-5,7,14H
InChI Key:
FVLZKMQMAWCXSQ-UHFFFAOYSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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