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Home > Indoles and Oxindole > 124808-78-2
124808-78-2 | 3-isocyanato-1-methyl-1H-indole
CAS No: 124808-78-2 Catalog No: AG00VTB8 MDL No:MFCD11588129
Product Description
Catalog Number:
AG00VTB8
Chemical Name:
3-isocyanato-1-methyl-1H-indole
CAS Number:
124808-78-2
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD11588129
IUPAC Name:
3-isocyanato-1-methylindole
InChI:
InChI=1S/C10H8N2O/c1-12-6-9(11-7-13)8-4-2-3-5-10(8)12/h2-6H,1H3
InChI Key:
KONDNSIYLUAZFI-UHFFFAOYSA-N
SMILES:
O=C=Nc1cn(c2c1cccc2)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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