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Home > Imidazoles > 808773-42-4
808773-42-4 | Benzonitrile, 3-[(2-methyl-1H-imidazol-4-yl)ethynyl]- (9CI)
CAS No: 808773-42-4 Catalog No: AG00GCA9 MDL No:
Product Description
Catalog Number:
AG00GCA9
Chemical Name:
Benzonitrile, 3-[(2-methyl-1H-imidazol-4-yl)ethynyl]- (9CI)
CAS Number:
808773-42-4
IUPAC Name:
3-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]benzonitrile
InChI:
InChI=1S/C13H9N3/c1-10-15-9-13(16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3,(H,15,16)
InChI Key:
TYEDOEOSOPVADS-UHFFFAOYSA-N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.236g/mol
Monoisotopic Mass:
207.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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