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Home > Nitro Compounds > 241127-15-1
241127-15-1 | (E)-1-(2-methylpropane-2-sulfonyl)-N-(4-nitrophenyl)methanecarbohydrazonoyl cyanide
CAS No: 241127-15-1 Catalog No: AG00IMUA MDL No:MFCD00664055
Product Description
Catalog Number:
AG00IMUA
Chemical Name:
(E)-1-(2-methylpropane-2-sulfonyl)-N-(4-nitrophenyl)methanecarbohydrazonoyl cyanide
CAS Number:
241127-15-1
Molecular Formula:
C12H14N4O4S
Molecular Weight:
310.3290
MDL Number:
MFCD00664055
IUPAC Name:
(1E)-1-tert-butylsulfonyl-N-(4-nitroanilino)methanimidoyl cyanide
InChI:
InChI=1S/C12H14N4O4S/c1-12(2,3)21(19,20)11(8-13)15-14-9-4-6-10(7-5-9)16(17)18/h4-7,14H,1-3H3/b15-11+
InChI Key:
XGAXIKJTDMNRSE-RVDMUPIBSA-N
SMILES:
N#C/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/S(=O)(=O)C(C)(C)C
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
310.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.328g/mol
Monoisotopic Mass:
310.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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