[2-(2-Chlorobenzyl)-1,3-thiazol-4-yl]acetic acid - CAS 1225504-35-7
Catalog: |
BB069571 |
Product Name: |
[2-(2-Chlorobenzyl)-1,3-thiazol-4-yl]acetic acid |
CAS: |
1225504-35-7 |
Synonyms: |
[2-(2-Chlorobenzyl)-1,3-thiazol-4-yl]acetic acid; 2-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid; 2-(2-(2-Chlorobenzyl)thiazol-4-yl)acetic acid; 2-{2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl}acetic acid |
IUPAC Name: | 2-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid |
Description: | [2-(2-Chlorobenzyl)-1,3-thiazol-4-yl]acetic acid |
Molecular Weight: | 267.73 |
Molecular Formula: | C12H10ClNO2S |
Canonical SMILES: | C1=CC=C(C(=C1)CC2=NC(=CS2)CC(=O)O)Cl |
InChI: | InChI=1S/C12H10ClNO2S/c13-10-4-2-1-3-8(10)5-11-14-9(7-17-11)6-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
InChI Key: | WFIYSPPNIFDKSL-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.0120774 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.0120774 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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