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88653-43-4 | Benzenamine, 4-(2-benzothiazolyloxy)-
CAS No: 88653-43-4 Catalog No: AG0048XP MDL No:
Product Description
Catalog Number:
AG0048XP
Chemical Name:
Benzenamine, 4-(2-benzothiazolyloxy)-
CAS Number:
88653-43-4
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
IUPAC Name:
4-(1,3-benzothiazol-2-yloxy)aniline
InChI:
InChI=1S/C13H10N2OS/c14-9-5-7-10(8-6-9)16-13-15-11-3-1-2-4-12(11)17-13/h1-8H,14H2
InChI Key:
DGOMCDSHBNRPGO-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1nc2c(s1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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