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29577-82-0 | Diazene, [(1,1-dimethylethyl)thio](4-nitrophenyl)-, (1E)- (9CI)
CAS No: 29577-82-0 Catalog No: AG002YSM MDL No:
Product Description
Catalog Number:
AG002YSM
Chemical Name:
Diazene, [(1,1-dimethylethyl)thio](4-nitrophenyl)-, (1E)- (9CI)
CAS Number:
29577-82-0
Molecular Formula:
C10H13N3O2S
Molecular Weight:
239.2941
IUPAC Name:
tert-butylsulfanyl-(4-nitrophenyl)diazene
InChI:
InChI=1S/C10H13N3O2S/c1-10(2,3)16-12-11-8-4-6-9(7-5-8)13(14)15/h4-7H,1-3H3
InChI Key:
KXMWBMMWWXQMMD-UHFFFAOYSA-N
SMILES:
CC(S/N=N/c1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.293g/mol
Monoisotopic Mass:
239.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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