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142441-49-4 | 2,2'-bi-1,3-benzothiazol-6-yl dihydrogen phosphate
CAS No: 142441-49-4 Catalog No: AG007ZH8 MDL No:
Product Description
Catalog Number:
AG007ZH8
Chemical Name:
2,2'-bi-1,3-benzothiazol-6-yl dihydrogen phosphate
CAS Number:
142441-49-4
Molecular Formula:
C14H9N2O4PS2
Molecular Weight:
364.3360
IUPAC Name:
[2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] dihydrogen phosphate
InChI:
InChI=1S/C14H9N2O4PS2/c17-21(18,19)20-8-5-6-10-12(7-8)23-14(16-10)13-15-9-3-1-2-4-11(9)22-13/h1-7H,(H2,17,18,19)
InChI Key:
BTKMJKKKZATLBU-UHFFFAOYSA-N
SMILES:
OP(=O)(Oc1ccc2c(c1)sc(n2)c1nc2c(s1)cccc2)O
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.974g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.33g/mol
Monoisotopic Mass:
363.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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