Home Nitriles 5-(Benzyloxy)-1h-indole-3-carbonitrile

5-(Benzyloxy)-1h-indole-3-carbonitrile

CAS No.:
194490-25-0
Catalog Number:
AG00AQPP
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
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Product Description
Catalog Number:
AG00AQPP
Chemical Name:
5-(Benzyloxy)-1h-indole-3-carbonitrile
CAS Number:
194490-25-0
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
MDL Number:
MFCD13193421
IUPAC Name:
5-phenylmethoxy-1H-indole-3-carbonitrile
InChI:
InChI=1S/C16H12N2O/c17-9-13-10-18-16-7-6-14(8-15(13)16)19-11-12-4-2-1-3-5-12/h1-8,10,18H,11H2
InChI Key:
SRDVYVLUUTYYSA-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1cc(OCc1ccccc1)cc2
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties