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72386-33-5 | 2-(2-methyl-2,3-dihydro-1,3-benzothiazol-2-yl)phenol
CAS No: 72386-33-5 Catalog No: AG005HYZ MDL No:
Product Description
Catalog Number:
AG005HYZ
Chemical Name:
2-(2-methyl-2,3-dihydro-1,3-benzothiazol-2-yl)phenol
CAS Number:
72386-33-5
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
2-(2-methyl-3H-1,3-benzothiazol-2-yl)phenol
InChI:
InChI=1S/C14H13NOS/c1-14(10-6-2-4-8-12(10)16)15-11-7-3-5-9-13(11)17-14/h2-9,15-16H,1H3
InChI Key:
NCIYJNHGOUNYSG-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C1(C)Nc2c(S1)cccc2
NSC Number:
32821
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.324g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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