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861886-73-9 | Phenol, 2-(2-benzoxazolyl)-5-isothiocyanato-
CAS No: 861886-73-9 Catalog No: AG008F5A MDL No:
Product Description
Catalog Number:
AG008F5A
Chemical Name:
Phenol, 2-(2-benzoxazolyl)-5-isothiocyanato-
CAS Number:
861886-73-9
Molecular Formula:
C14H8N2O2S
Molecular Weight:
268.2905
IUPAC Name:
2-(1,3-benzoxazol-2-yl)-5-isothiocyanatophenol
InChI:
InChI=1S/C14H8N2O2S/c17-12-7-9(15-8-19)5-6-10(12)14-16-11-3-1-2-4-13(11)18-14/h1-7,17H
InChI Key:
RQFZEDKMUYOQNE-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)O)c1nc2c(o1)cccc2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.29g/mol
Monoisotopic Mass:
268.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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