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188806-18-0 | Benzenemethanamine, 4-methoxy-N-(2-thiazolylmethylene)-, N-oxide (9CI)
CAS No: 188806-18-0 Catalog No: AG002HCN MDL No:
Product Description
Catalog Number:
AG002HCN
Chemical Name:
Benzenemethanamine, 4-methoxy-N-(2-thiazolylmethylene)-, N-oxide (9CI)
CAS Number:
188806-18-0
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)methanimine oxide
InChI:
InChI=1S/C12H12N2O2S/c1-16-11-4-2-10(3-5-11)8-14(15)9-12-13-6-7-17-12/h2-7,9H,8H2,1H3
InChI Key:
YYXNEWKFMNKWMH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C[N+](=Cc1nccs1)[O-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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