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88975-80-8 | Benzeneacetic acid, 2-(methyl-2-thiazolylamino)-
CAS No: 88975-80-8 Catalog No: AG0045QW MDL No:
Product Description
Catalog Number:
AG0045QW
Chemical Name:
Benzeneacetic acid, 2-(methyl-2-thiazolylamino)-
CAS Number:
88975-80-8
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
IUPAC Name:
2-[2-[methyl(1,3-thiazol-2-yl)amino]phenyl]acetic acid
InChI:
InChI=1S/C12H12N2O2S/c1-14(12-13-6-7-17-12)10-5-3-2-4-9(10)8-11(15)16/h2-7H,8H2,1H3,(H,15,16)
InChI Key:
SQNQVNKFYBDRIY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1N(c1nccs1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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