| CAS Number | 1099632-00-4 |
| Catalog Number | AG007W6J(AGN-PC-06L4M5) |
| Chemical Name | 5-(4-Chloro-2-methylphenyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(4-chloro-2-methylphenyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H9ClO2S/c1-7-6-8(13)2-3-9(7)10-4-5-11(16-10)12(14)15/h2-6H,1H3,(H,14,15) |
| InChI Key | NNZJHHRVOBRJED-UHFFFAOYSA-N |
| MDL Number | MFCD11650590 |
| Molecular Formula | C12H9ClO2S |
| Molecular Weight | 252.7167 |
| SMILES | Clc1ccc(c(c1)C)c1ccc(s1)C(=O)O |
| Synonyms | 5-(4-CHLORO-2-METHYLPHENYL)THIOPHENE-2-CARBOXYLIC ACID,
1099632-00-4,
ACMC-20994x,
CTK4A6722,
DTXSID30655921,
1910AA,
ANW-16111,
MFCD11650590,
ZINC36666821,
AKOS009385741,
AJ-93281,
AX8243021,
TR-034026,
A-4917,
I04-2552,
C12H9ClO2S,
5-(4-Chloro-2-methylphenyl)thiophene-2-carboxylicacid,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.712g/mol |
| Monoisotopic Mass | 252.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number