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102300-51-6 | Benzenemethanamine, N-ethyl-N-[4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]-
CAS No: 102300-51-6 Catalog No: AG00076L MDL No:
Product Description
Catalog Number:
AG00076L
Chemical Name:
Benzenemethanamine, N-ethyl-N-[4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]-
CAS Number:
102300-51-6
Molecular Formula:
C18H17N5O2S
Molecular Weight:
367.4249
IUPAC Name:
N-benzyl-N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
InChI:
InChI=1S/C18H17N5O2S/c1-2-22(13-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-21-18-19-12-17(26-18)23(24)25/h3-12H,2,13H2,1H3
InChI Key:
JKYLKHWUQKCQAF-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=Nc1ncc(s1)[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.427g/mol
Monoisotopic Mass:
367.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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