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847956-27-8 | 3-(1,3-Thiazol-2-yl);benzoic acid
CAS No: 847956-27-8 Catalog No: AG004OJZ MDL No:MFCD06797800
Product Description
Catalog Number:
AG004OJZ
Chemical Name:
3-(1,3-Thiazol-2-yl);benzoic acid
CAS Number:
847956-27-8
Molecular Formula:
C10H7NO2S
Molecular Weight:
205.2331
MDL Number:
MFCD06797800
IUPAC Name:
3-(1,3-thiazol-2-yl)benzoic acid
InChI:
InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
InChI Key:
BLFSSABBFANDKK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1nccs1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.231g/mol
Monoisotopic Mass:
205.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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