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Home > Fluorides > 681260-11-7
681260-11-7 | 3-[2-(4-Fluoro-phenyl)-benzo[d]imidazo[2,1-b]-thiazol-3-yl]-acrylic acid sodium salt
CAS No: 681260-11-7 Catalog No: AG01EWXH MDL No:MFCD08457667
Product Description
Catalog Number:
AG01EWXH
Chemical Name:
3-[2-(4-Fluoro-phenyl)-benzo[d]imidazo[2,1-b]-thiazol-3-yl]-acrylic acid sodium salt
CAS Number:
681260-11-7
Molecular Formula:
C18H10FN2NaO2S
Molecular Weight:
360.3374
MDL Number:
MFCD08457667
IUPAC Name:
sodium;(E)-3-[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]prop-2-enoate
InChI:
InChI=1S/C18H11FN2O2S.Na/c19-12-7-5-11(6-8-12)17-14(9-10-16(22)23)21-13-3-1-2-4-15(13)24-18(21)20-17;/h1-10H,(H,22,23);/q;+1/p-1/b10-9+;
InChI Key:
GKVZZMDDAMGJJZ-RRABGKBLSA-M
SMILES:
[O-]C(=O)/C=C/c1c(nc2n1c1ccccc1s2)c1ccc(cc1)F.[Na+]
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
360.034g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.338g/mol
Monoisotopic Mass:
360.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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