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Home > Imidazoles > 918413-82-8
918413-82-8 | Benzonitrile, 4-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-
CAS No: 918413-82-8 Catalog No: AG006RNL MDL No:
Product Description
Catalog Number:
AG006RNL
Chemical Name:
Benzonitrile, 4-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-
CAS Number:
918413-82-8
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
4-[(R)-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile
InChI:
InChI=1S/C12H11N3O/c1-15-8-14-7-11(15)12(16)10-4-2-9(6-13)3-5-10/h2-5,7-8,12,16H,1H3/t12-/m1/s1
InChI Key:
IECJLKDQPXYAOB-GFCCVEGCSA-N
SMILES:
N#Cc1ccc(cc1)[C@H](c1cncn1C)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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