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93957-42-7 | 3-(4-Fluorophenyl)-1-methyl-1H-indole-2-carbaldehyde
CAS No: 93957-42-7 Catalog No: AG005XA0 MDL No:
Product Description
Catalog Number:
AG005XA0
Chemical Name:
3-(4-Fluorophenyl)-1-methyl-1H-indole-2-carbaldehyde
CAS Number:
93957-42-7
Molecular Formula:
C16H12FNO
Molecular Weight:
253.2710
IUPAC Name:
3-(4-fluorophenyl)-1-methylindole-2-carbaldehyde
InChI:
InChI=1S/C16H12FNO/c1-18-14-5-3-2-4-13(14)16(15(18)10-19)11-6-8-12(17)9-7-11/h2-10H,1H3
InChI Key:
IKJQETNXCGTJGD-UHFFFAOYSA-N
SMILES:
O=Cc1c(c2ccc(cc2)F)c2c(n1C)cccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.276g/mol
Monoisotopic Mass:
253.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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