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Home > Nitro Compounds > 945969-04-0
945969-04-0 | 2,2-Dimethyl-7-nitro-2H-1,4-benzothiazin-3(4H)-one
CAS No: 945969-04-0 Catalog No: AG00IIDK MDL No:
Product Description
Catalog Number:
AG00IIDK
Chemical Name:
2,2-Dimethyl-7-nitro-2H-1,4-benzothiazin-3(4H)-one
CAS Number:
945969-04-0
IUPAC Name:
2,2-dimethyl-7-nitro-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C10H10N2O3S/c1-10(2)9(13)11-7-4-3-6(12(14)15)5-8(7)16-10/h3-5H,1-2H3,(H,11,13)
InChI Key:
JRZZDQYDACTKAV-UHFFFAOYSA-N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.261g/mol
Monoisotopic Mass:
238.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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