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885266-79-5

885266-79-5 | Thiocyanic acid, 7-nitro-1H-indol-3-yl ester

CAS No: 885266-79-5 Catalog No: AG00H1PY MDL No:MFCD04973971

Product Description

Catalog Number:
AG00H1PY
Chemical Name:
Thiocyanic acid, 7-nitro-1H-indol-3-yl ester
CAS Number:
885266-79-5
MDL Number:
MFCD04973971
IUPAC Name:
(7-nitro-1H-indol-3-yl) thiocyanate
InChI:
InChI=1S/C9H5N3O2S/c10-5-15-8-4-11-9-6(8)2-1-3-7(9)12(13)14/h1-4,11H
InChI Key:
IHGLKSNUTFHIAG-UHFFFAOYSA-N

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.218g/mol
Monoisotopic Mass:
219.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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