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29577-84-2 | Diazene, (2-chloro-4-nitrophenyl)[(1,1-dimethylethyl)thio]-, (E)- (9CI)
CAS No: 29577-84-2 Catalog No: AG002YSL MDL No:
Product Description
Catalog Number:
AG002YSL
Chemical Name:
Diazene, (2-chloro-4-nitrophenyl)[(1,1-dimethylethyl)thio]-, (E)- (9CI)
CAS Number:
29577-84-2
Molecular Formula:
C10H12ClN3O2S
Molecular Weight:
273.7392
IUPAC Name:
tert-butylsulfanyl-(2-chloro-4-nitrophenyl)diazene
InChI:
InChI=1S/C10H12ClN3O2S/c1-10(2,3)17-13-12-9-5-4-7(14(15)16)6-8(9)11/h4-6H,1-3H3
InChI Key:
LDKDKPAVSOZNHC-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1/N=N/SC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.735g/mol
Monoisotopic Mass:
273.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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