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Home > Indoles and Oxindole > 117086-92-7
117086-92-7 | 1H-Indole-1-carbonyl chloride, 3-ethyl-2,3-dihydro-
CAS No: 117086-92-7 Catalog No: AG000DOJ MDL No:
Product Description
Catalog Number:
AG000DOJ
Chemical Name:
1H-Indole-1-carbonyl chloride, 3-ethyl-2,3-dihydro-
CAS Number:
117086-92-7
Molecular Formula:
C11H12ClNO
Molecular Weight:
209.6721
IUPAC Name:
3-ethyl-2,3-dihydroindole-1-carbonyl chloride
InChI:
InChI=1S/C11H12ClNO/c1-2-8-7-13(11(12)14)10-6-4-3-5-9(8)10/h3-6,8H,2,7H2,1H3
InChI Key:
BYTVMGNFKKBKLJ-UHFFFAOYSA-N
SMILES:
CCC1CN(c2c1cccc2)C(=O)Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.673g/mol
Monoisotopic Mass:
209.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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