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Home > Bromides > 1072069-54-5
1072069-54-5 | N-(7-Bromo-5-ethoxy-1,3-benzothiazol-2-yl)-2-cyanoacetamide
CAS No: 1072069-54-5 Catalog No: AG01F6SH MDL No:
Product Description
Catalog Number:
AG01F6SH
Chemical Name:
N-(7-Bromo-5-ethoxy-1,3-benzothiazol-2-yl)-2-cyanoacetamide
CAS Number:
1072069-54-5
Molecular Formula:
C12H10BrN3O2S
Molecular Weight:
340.1957
IUPAC Name:
N-(7-bromo-5-ethoxy-1,3-benzothiazol-2-yl)-2-cyanoacetamide
InChI:
InChI=1S/C12H10BrN3O2S/c1-2-18-7-5-8(13)11-9(6-7)15-12(19-11)16-10(17)3-4-14/h5-6H,2-3H2,1H3,(H,15,16,17)
InChI Key:
GHKAWZZNGIPWRA-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)c2c(c1)nc(s2)NC(=O)CC#N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.968g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.195g/mol
Monoisotopic Mass:
338.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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