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Home > Nitro Compounds > 89406-22-4
89406-22-4 | Phenol, 2-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-6-nitro-
CAS No: 89406-22-4 Catalog No: AG003VWP MDL No:
Product Description
Catalog Number:
AG003VWP
Chemical Name:
Phenol, 2-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-6-nitro-
CAS Number:
89406-22-4
Molecular Formula:
C21H16N2O3S
Molecular Weight:
376.4283
IUPAC Name:
2-nitro-6-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol
InChI:
InChI=1S/C21H16N2O3S/c24-21-15(9-6-11-18(21)23(25)26)20-13-17(14-7-2-1-3-8-14)22-16-10-4-5-12-19(16)27-20/h1-12,20,24H,13H2
InChI Key:
WFUUCILHKCVYAE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1O)C1CC(=Nc2c(S1)cccc2)c1ccccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.43g/mol
Monoisotopic Mass:
376.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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