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30616-38-7 | Phenol, 4-amino-2-(2-benzothiazolyl)-
CAS No: 30616-38-7 Catalog No: AG0030OX MDL No:MFCD00197455
Product Description
Catalog Number:
AG0030OX
Chemical Name:
Phenol, 4-amino-2-(2-benzothiazolyl)-
CAS Number:
30616-38-7
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
MDL Number:
MFCD00197455
IUPAC Name:
4-amino-2-(1,3-benzothiazol-2-yl)phenol
InChI:
InChI=1S/C13H10N2OS/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2
InChI Key:
UBRCBHVOYDSGKZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)c1nc2c(s1)cccc2)O
Properties
Complexity:
276
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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