3-Chloro-5-formylbenzoic Acid - CAS 153203-59-9
Catalog: |
BB010864 |
Product Name: |
3-Chloro-5-formylbenzoic Acid |
CAS: |
153203-59-9 |
Synonyms: |
3-chloro-5-formylbenzoic acid; 3-chloro-5-formylbenzoic acid |
IUPAC Name: | 3-chloro-5-formylbenzoic acid |
Description: | 3-Chloro-5-formylbenzoic Acid (CAS# 153203-59-9) is a useful research chemical. |
Molecular Weight: | 184.58 |
Molecular Formula: | C8H5ClO3 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)Cl)C=O |
InChI: | InChI=1S/C8H5ClO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12) |
InChI Key: | LWVHCYUHVMWJLJ-UHFFFAOYSA-N |
LogP: | 1.85070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021050688-A1 | Compounds and uses thereof | 20190910 |
MX-2007002391-A | DERIVATIVES OF 4-AMINOMETIL BENZAMIDA AND ITS USE AS INHIBITORS OF THE FACTOR VIIA. | 20040906 |
AU-671682-B2 | N-acetonylbenzamides and their use as fungicides | 19921218 |
CA-2104339-C | N-acetonylbenzamides and their use as fungicides | 19921218 |
EP-0604019-A1 | N-Acetonylbenzamides and their use as fungicides | 19921218 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.9927217 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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