| CAS Number | 65136-52-9 |
| Catalog Number | AG00EBOL(AGN-PC-09PZ7Y) |
| Chemical Name | 4-Chloro-3-propoxybenzoic acid |
| IUPAC Name | 4-chloro-3-propoxybenzoic acid |
| InChI | InChI=1S/C10H11ClO3/c1-2-5-14-9-6-7(10(12)13)3-4-8(9)11/h3-4,6H,2,5H2,1H3,(H,12,13) |
| InChI Key | GSTOIQLTEUFNGQ-UHFFFAOYSA-N |
| MDL Number | MFCD18434435 |
| Molecular Formula | C10H11ClO3 |
| Molecular Weight | 214.6455 |
| SMILES | OC(C1=CC=C(OCCCCl)C=C1)=O |
| Synonyms | 4-CHLORO-3-PROPOXYBENZOIC ACID,
65136-52-9,
ACMC-209npc,
DTXSID30681846,
ANW-34990,
MFCD18434435,
ZINC65337044,
AKOS015888526,
AK107475,
AJ-114976,
AX8242814,
TC-123735,
A-3547,
I01-11502,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.645g/mol |
| Monoisotopic Mass | 214.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number