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Home > Nitro Compounds > 146787-84-0
146787-84-0 | Isothiazolidine, 2-[(4-nitrophenyl)methyl]-, 1-oxide
CAS No: 146787-84-0 Catalog No: AG001EBP MDL No:
Product Description
Catalog Number:
AG001EBP
Chemical Name:
Isothiazolidine, 2-[(4-nitrophenyl)methyl]-, 1-oxide
CAS Number:
146787-84-0
Molecular Formula:
C10H12N2O3S
Molecular Weight:
240.2789
IUPAC Name:
2-[(4-nitrophenyl)methyl]-1,2-thiazolidine 1-oxide
InChI:
InChI=1S/C10H12N2O3S/c13-12(14)10-4-2-9(3-5-10)8-11-6-1-7-16(11)15/h2-5H,1,6-8H2
InChI Key:
GCVINIUQJAIPJP-UHFFFAOYSA-N
SMILES:
O=S1CCCN1Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.277g/mol
Monoisotopic Mass:
240.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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