4-Chloro-2,6-dimethylbenzoic Acid - CAS 35887-72-0
Catalog: |
BB022791 |
Product Name: |
4-Chloro-2,6-dimethylbenzoic Acid |
CAS: |
35887-72-0 |
Synonyms: |
4-chloro-2,6-dimethylbenzoic acid; 4-chloro-2,6-dimethylbenzoic acid |
IUPAC Name: | 4-chloro-2,6-dimethylbenzoic acid |
Description: | 4-Chloro-2,6-dimethylbenzoic Acid (CAS# 35887-72-0) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | CC1=CC(=CC(=C1C(=O)O)C)Cl |
InChI: | InChI=1S/C9H9ClO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
InChI Key: | ONVNRYJOMHDJER-UHFFFAOYSA-N |
LogP: | 2.65500 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109970551-B | Preparation method of o-methyl aryl formic acid derivative | 20190415 |
WO-2020068600-A1 | Ubiquitin-specific-processing protease 7 (usp7) modulators and uses thereof | 20180924 |
AU-2006306491-A1 | Piperazine derivatives useful as CCR5 antagonists | 20051021 |
AU-2006306491-B2 | Piperazine derivatives useful as CCR5 antagonists | 20051021 |
BR-PI0617731-A2 | piperazine derivatives useful as ccr5 antagonists | 20051021 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0291072 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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