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89563-51-9 | 2-Thiazolamine, N,4-dimethyl-5-nitro-N-(phenylmethyl)-
CAS No: 89563-51-9 Catalog No: AG003Y7C MDL No:
Product Description
Catalog Number:
AG003Y7C
Chemical Name:
2-Thiazolamine, N,4-dimethyl-5-nitro-N-(phenylmethyl)-
CAS Number:
89563-51-9
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
IUPAC Name:
N-benzyl-N,4-dimethyl-5-nitro-1,3-thiazol-2-amine
InChI:
InChI=1S/C12H13N3O2S/c1-9-11(15(16)17)18-12(13-9)14(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key:
JJIVACQIZSCXNK-UHFFFAOYSA-N
SMILES:
CN(c1nc(c(s1)[N+](=O)[O-])C)Cc1ccccc1
Properties
Complexity:
292
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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