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Home > Nitro Compounds > 31770-95-3
31770-95-3 | 5-Methanesulfonyl-6-nitro-3H-benzooxazol-2-one
CAS No: 31770-95-3 Catalog No: AG01EAKI MDL No:
Product Description
Catalog Number:
AG01EAKI
Chemical Name:
5-Methanesulfonyl-6-nitro-3H-benzooxazol-2-one
CAS Number:
31770-95-3
IUPAC Name:
5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H6N2O6S/c1-17(14,15)7-2-4-6(16-8(11)9-4)3-5(7)10(12)13/h2-3H,1H3,(H,9,11)
InChI Key:
MVPPGNRJNZBDAK-UHFFFAOYSA-N
EC Number:
250-795-5
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.204g/mol
Monoisotopic Mass:
257.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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