| CAS Number | 1289106-07-5 |
| Catalog Number | AG01B1S0 |
| Chemical Name | 2-Chloro-3-formylbenzoic acid |
| IUPAC Name | 2-chloro-3-formylbenzoic acid |
| InChI | InChI=1S/C8H5ClO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4H,(H,11,12) |
| InChI Key | JXFUQVJNPIAUTP-UHFFFAOYSA-N |
| MDL Number | MFCD26855791 |
| Molecular Formula | C8H5ClO3 |
| Molecular Weight | 184.5765 |
| SMILES | O=C(O)C1=CC=CC(C=O)=C1Cl |
| Synonyms | 2-chloro-3-formylbenzoic acid,
1289106-07-5,
SCHEMBL12760749,
ZINC96034651,
NE18513,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.575g/mol |
| Monoisotopic Mass | 183.993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number