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Home > Aldehydes > 1893099-67-6
1893099-67-6 | 6-chloro-1-(propan-2-yl)-1H-indole-3-carbaldehyde
CAS No: 1893099-67-6 Catalog No: AG01BSHK MDL No:MFCD30538296
Product Description
Catalog Number:
AG01BSHK
Chemical Name:
6-chloro-1-(propan-2-yl)-1H-indole-3-carbaldehyde
CAS Number:
1893099-67-6
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
MDL Number:
MFCD30538296
IUPAC Name:
6-chloro-1-propan-2-ylindole-3-carbaldehyde
InChI:
InChI=1S/C12H12ClNO/c1-8(2)14-6-9(7-15)11-4-3-10(13)5-12(11)14/h3-8H,1-2H3
InChI Key:
YBNNRPQNAXSGEJ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1ccc(c2)Cl)C(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.684g/mol
Monoisotopic Mass:
221.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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