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Home > Nitro Compounds > 22133-01-3
22133-01-3 | imino(methyl)(4-nitrophenyl)-lambda6-sulfanone
CAS No: 22133-01-3 Catalog No: AG00IVXB MDL No:MFCD20731165
Product Description
Catalog Number:
AG00IVXB
Chemical Name:
imino(methyl)(4-nitrophenyl)-lambda6-sulfanone
CAS Number:
22133-01-3
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
MDL Number:
MFCD20731165
IUPAC Name:
imino-methyl-(4-nitrophenyl)-oxo-λ6-sulfane
InChI:
InChI=1S/C7H8N2O3S/c1-13(8,12)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3
InChI Key:
OSHPSKAPWFEQST-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=N)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.212g/mol
Monoisotopic Mass:
200.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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