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Home > Indoles and Oxindole > 1082325-97-0
1082325-97-0 | 1-ETHYL-3-ISOCYANATO-1H-INDOLE
CAS No: 1082325-97-0 Catalog No: AG01APHL MDL No:MFCD11588130
Product Description
Catalog Number:
AG01APHL
Chemical Name:
1-ETHYL-3-ISOCYANATO-1H-INDOLE
CAS Number:
1082325-97-0
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD11588130
IUPAC Name:
1-ethyl-3-isocyanatoindole
InChI:
InChI=1S/C11H10N2O/c1-2-13-7-10(12-8-14)9-5-3-4-6-11(9)13/h3-7H,2H2,1H3
InChI Key:
FODZVVNTPLQEKX-UHFFFAOYSA-N
SMILES:
O=C=Nc1cn(c2c1cccc2)CC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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