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Home > Nitro Compounds > 73909-01-0
73909-01-0 | THIOCYANIC ACID 2-METHOXY-5-NITROBENZYL ESTER
CAS No: 73909-01-0 Catalog No: AG005AKX MDL No:
Product Description
Catalog Number:
AG005AKX
Chemical Name:
THIOCYANIC ACID 2-METHOXY-5-NITROBENZYL ESTER
CAS Number:
73909-01-0
Molecular Formula:
C9H8N2O3S
Molecular Weight:
224.2364
IUPAC Name:
(2-methoxy-5-nitrophenyl)methyl thiocyanate
InChI:
InChI=1S/C9H8N2O3S/c1-14-9-3-2-8(11(12)13)4-7(9)5-15-6-10/h2-4H,5H2,1H3
InChI Key:
IJNOBAXRYUVXNC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(CSC#N)c(cc1)OC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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