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81787-94-2 | 1H-Indole-2-carboxaldehyde, 1-(phenylmethyl)-
CAS No: 81787-94-2 Catalog No: AG0056TJ MDL No:MFCD25368408
Product Description
Catalog Number:
AG0056TJ
Chemical Name:
1H-Indole-2-carboxaldehyde, 1-(phenylmethyl)-
CAS Number:
81787-94-2
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD25368408
IUPAC Name:
1-benzylindole-2-carbaldehyde
InChI:
InChI=1S/C16H13NO/c18-12-15-10-14-8-4-5-9-16(14)17(15)11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChI Key:
ZEVVAMDVWHMNDL-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1Cc1ccccc1)cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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