1H-Indole-3-carbonitrile, 5-(phenylmethoxy)-


Chemical Name: 1H-Indole-3-carbonitrile, 5-(phenylmethoxy)-
CAS Number: 194490-25-0
Product Number: AG00AQPP(AGN-PC-00A70W)
Synonyms:
MDL No:
Molecular Formula: C16H12N2O
Molecular Weight: 248.2793

Identification/Properties


Computed Properties
Molecular Weight:
248.285g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
248.095g/mol
Monoisotopic Mass:
248.095g/mol
Topological Polar Surface Area:
48.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
342
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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