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Home > Nitro Compounds > 121899-66-9
121899-66-9 | 2(3H)-Benzothiazolone, 3-(2-hydroxyethyl)-6-nitro-
CAS No: 121899-66-9 Catalog No: AG0016CW MDL No:
Product Description
Catalog Number:
AG0016CW
Chemical Name:
2(3H)-Benzothiazolone, 3-(2-hydroxyethyl)-6-nitro-
CAS Number:
121899-66-9
Molecular Formula:
C9H8N2O4S
Molecular Weight:
240.2358
IUPAC Name:
3-(2-hydroxyethyl)-6-nitro-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H8N2O4S/c12-4-3-10-7-2-1-6(11(14)15)5-8(7)16-9(10)13/h1-2,5,12H,3-4H2
InChI Key:
MWEVBWFZLWVZQJ-UHFFFAOYSA-N
SMILES:
OCCn1c(=O)sc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.233g/mol
Monoisotopic Mass:
240.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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