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Home > Indoles and Oxindole > 134977-98-3
134977-98-3 | 4-benzoyl-1H-indole
CAS No: 134977-98-3 Catalog No: AG01B9ZO MDL No:MFCD28968127
Product Description
Catalog Number:
AG01B9ZO
Chemical Name:
4-benzoyl-1H-indole
CAS Number:
134977-98-3
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
MDL Number:
MFCD28968127
IUPAC Name:
1H-indol-4-yl(phenyl)methanone
InChI:
InChI=1S/C15H11NO/c17-15(11-5-2-1-3-6-11)13-7-4-8-14-12(13)9-10-16-14/h1-10,16H
InChI Key:
UHUZJORSZJFKEL-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1cc[nH]2)c1ccccc1
Properties
Complexity:
283
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:
4.1
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