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303098-86-4 | Phenol, 4-(6-amino-2-benzothiazolyl)-
CAS No: 303098-86-4 Catalog No: AG002ZM0 MDL No:
Product Description
Catalog Number:
AG002ZM0
Chemical Name:
Phenol, 4-(6-amino-2-benzothiazolyl)-
CAS Number:
303098-86-4
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
IUPAC Name:
4-(6-amino-1,3-benzothiazol-2-yl)phenol
InChI:
InChI=1S/C13H10N2OS/c14-9-3-6-11-12(7-9)17-13(15-11)8-1-4-10(16)5-2-8/h1-7,16H,14H2
InChI Key:
YEVCXKRHVCSALM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c(s1)cc(cc2)N
Properties
Complexity:
268
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:
2
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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