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89563-52-0 | 2-Thiazolamine, N,N-dimethyl-5-nitro-4-(phenylmethyl)-
CAS No: 89563-52-0 Catalog No: AG003Y92 MDL No:
Product Description
Catalog Number:
AG003Y92
Chemical Name:
2-Thiazolamine, N,N-dimethyl-5-nitro-4-(phenylmethyl)-
CAS Number:
89563-52-0
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
IUPAC Name:
4-benzyl-N,N-dimethyl-5-nitro-1,3-thiazol-2-amine
InChI:
InChI=1S/C12H13N3O2S/c1-14(2)12-13-10(11(18-12)15(16)17)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
IORBQNNKLYVVMU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sc(nc1Cc1ccccc1)N(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.315g/mol
Monoisotopic Mass:
263.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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