4-(2-Nitrophenyl)thiazole-2-carboxylic Acid - CAS 1141669-77-3
Catalog: |
BB003313 |
Product Name: |
4-(2-Nitrophenyl)thiazole-2-carboxylic Acid |
CAS: |
1141669-77-3 |
Synonyms: |
4-(2-nitrophenyl)-2-thiazolecarboxylic acid; 4-(2-nitrophenyl)-1,3-thiazole-2-carboxylic acid |
IUPAC Name: | 4-(2-nitrophenyl)-1,3-thiazole-2-carboxylic acid |
Description: | 4-(2-Nitrophenyl)thiazole-2-carboxylic Acid (CAS# 1141669-77-3 ) is a useful research chemical. |
Molecular Weight: | 250.23 |
Molecular Formula: | C10H6N2O4S |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CSC(=N2)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C10H6N2O4S/c13-10(14)9-11-7(5-17-9)6-3-1-2-4-8(6)12(15)16/h1-5H,(H,13,14) |
InChI Key: | UVBAFOQPYRZYCR-UHFFFAOYSA-N |
LogP: | 2.93970 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.00482785 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.00482785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 124 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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