Name: Name:1H-Indole-3-carboxaldehyde, 5-(1,1-dimethylethyl)-
Brand: Angene
SKU: AG0012JC
Rating: 90 (10 reviews)

1H-Indole-3-carboxaldehyde, 5-(1,1-dimethylethyl)-

CAS No.:

1369055-82-2

Catalog Number:

AG0012JC

Molecular Formula:

C13H15NO

Molecular Weight:

201.2643

Catalog Number:

AG0012JC

Chemical Name:

1H-Indole-3-carboxaldehyde, 5-(1,1-dimethylethyl)-

CAS Number:

1369055-82-2

Molecular Formula:

C13H15NO

Molecular Weight:

201.2643

MDL Number:

MFCD21985552

IUPAC Name:

5-tert-butyl-1H-indole-3-carbaldehyde

InChI:

InChI=1S/C13H15NO/c1-13(2,3)10-4-5-12-11(6-10)9(8-15)7-14-12/h4-8,14H,1-3H3

InChI Key:

HTONYGNSUGDWPU-UHFFFAOYSA-N

SMILES:

O=Cc1c[nH]c2c1cc(cc2)C(C)(C)C

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.269g/mol

Monoisotopic Mass:

201.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4