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6765-77-1 | 1H-Indole-2-carboxaldehyde, 5-chloro-1-methyl-3-phenyl-
CAS No: 6765-77-1 Catalog No: AG005QX7 MDL No:
Product Description
Catalog Number:
AG005QX7
Chemical Name:
1H-Indole-2-carboxaldehyde, 5-chloro-1-methyl-3-phenyl-
CAS Number:
6765-77-1
Molecular Formula:
C16H12ClNO
Molecular Weight:
269.7256
IUPAC Name:
5-chloro-1-methyl-3-phenylindole-2-carbaldehyde
InChI:
InChI=1S/C16H12ClNO/c1-18-14-8-7-12(17)9-13(14)16(15(18)10-19)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
BDLVRSCEDLFYDG-UHFFFAOYSA-N
SMILES:
O=Cc1c(c2ccccc2)c2c(n1C)ccc(c2)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.728g/mol
Monoisotopic Mass:
269.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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