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77655-46-0 | 1H-Indole-3-carboxaldehyde, 2-chloro-1-(phenylmethyl)-
CAS No: 77655-46-0 Catalog No: AG008OSE MDL No:
Product Description
Catalog Number:
AG008OSE
Chemical Name:
1H-Indole-3-carboxaldehyde, 2-chloro-1-(phenylmethyl)-
CAS Number:
77655-46-0
Molecular Formula:
C16H12ClNO
Molecular Weight:
269.7256
IUPAC Name:
1-benzyl-2-chloroindole-3-carbaldehyde
InChI:
InChI=1S/C16H12ClNO/c17-16-14(11-19)13-8-4-5-9-15(13)18(16)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChI Key:
CHEIMHAFRQLQPF-UHFFFAOYSA-N
SMILES:
O=Cc1c2ccccc2n(c1Cl)Cc1ccccc1
Properties
Complexity:
316
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:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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