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862254-43-1 | 3-(2-Aminothiazol-4-yl)benzoic acid
CAS No: 862254-43-1 Catalog No: AG003I00 MDL No:MFCD12196529
Product Description
Catalog Number:
AG003I00
Chemical Name:
3-(2-Aminothiazol-4-yl)benzoic acid
CAS Number:
862254-43-1
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD12196529
IUPAC Name:
3-(2-amino-1,3-thiazol-4-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-2-1-3-7(4-6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
InChI Key:
FUVRHVASGCIPSM-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1cccc(c1)C(=O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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