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210888-94-1 | Benzaldehyde, 3-(1H-indol-5-yl)-
CAS No: 210888-94-1 Catalog No: AG002L1D MDL No:
Product Description
Catalog Number:
AG002L1D
Chemical Name:
Benzaldehyde, 3-(1H-indol-5-yl)-
CAS Number:
210888-94-1
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
3-(1H-indol-5-yl)benzaldehyde
InChI:
InChI=1S/C15H11NO/c17-10-11-2-1-3-12(8-11)13-4-5-15-14(9-13)6-7-16-15/h1-10,16H
InChI Key:
QKEKUZYEHOVYSN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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