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20000-52-6

20000-52-6 | Benzoic acid, 3-(2-benzothiazolyl)-

CAS No: 20000-52-6 Catalog No: AG002CHZ MDL No:MFCD07601133

Product Description

Catalog Number:
AG002CHZ
Chemical Name:
Benzoic acid, 3-(2-benzothiazolyl)-
CAS Number:
20000-52-6
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
MDL Number:
MFCD07601133
IUPAC Name:
3-(1,3-benzothiazol-2-yl)benzoic acid
InChI:
InChI=1S/C14H9NO2S/c16-14(17)10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)18-13/h1-8H,(H,16,17)
InChI Key:
JGHJRMOIZBCSIN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1nc2c(s1)cccc2

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.035g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.291g/mol
Monoisotopic Mass:
255.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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