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Home > Nitro Compounds > 22974-35-2
22974-35-2 | Ethanol, 2,2'-[(3-nitrophenyl)imino]bis-, 1,1'-dimethanesulfonate
CAS No: 22974-35-2 Catalog No: AG002LRR MDL No:
Product Description
Catalog Number:
AG002LRR
Chemical Name:
Ethanol, 2,2'-[(3-nitrophenyl)imino]bis-, 1,1'-dimethanesulfonate
CAS Number:
22974-35-2
Molecular Formula:
C12H18N2O8S2
Molecular Weight:
382.4099
IUPAC Name:
2-[N-(2-methylsulfonyloxyethyl)-3-nitroanilino]ethyl methanesulfonate
InChI:
InChI=1S/C12H18N2O8S2/c1-23(17,18)21-8-6-13(7-9-22-24(2,19)20)11-4-3-5-12(10-11)14(15)16/h3-5,10H,6-9H2,1-2H3
InChI Key:
PUASMJZCKYGRMS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C
NSC Number:
100774
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.402g/mol
Monoisotopic Mass:
382.05g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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