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Home > Nitro Compounds > 10154-84-4
10154-84-4 | Benzenesulfonic acid, m-nitro-, 2-butynylene ester (7CI,8CI)
CAS No: 10154-84-4 Catalog No: AG0004R3 MDL No:
Product Description
Catalog Number:
AG0004R3
Chemical Name:
Benzenesulfonic acid, m-nitro-, 2-butynylene ester (7CI,8CI)
CAS Number:
10154-84-4
IUPAC Name:
4-(3-nitrophenyl)sulfonyloxybut-2-ynyl 3-nitrobenzenesulfonate
InChI:
InChI=1S/C16H12N2O10S2/c19-17(20)13-5-3-7-15(11-13)29(23,24)27-9-1-2-10-28-30(25,26)16-8-4-6-14(12-16)18(21)22/h3-8,11-12H,9-10H2
InChI Key:
BRHVMEXNDQMVGO-UHFFFAOYSA-N
NSC Number:
84134
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.993g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.396g/mol
Monoisotopic Mass:
455.993g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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