2-Chloro-3-methylbenzoic acid - CAS 15068-35-6
Catalog: |
BB010561 |
Product Name: |
2-Chloro-3-methylbenzoic acid |
CAS: |
15068-35-6 |
Synonyms: |
2-chloro-3-methylbenzoic acid; 2-chloro-3-methylbenzoic acid |
IUPAC Name: | 2-chloro-3-methylbenzoic acid |
Description: | 2-Chloro-3-methylbenzoic acid (CAS# 15068-35-6) is a useful research chemical. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | CC1=CC=CC(=C1Cl)C(=O)O |
InChI: | InChI=1S/C8H7ClO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | LWOKLXMNGXXORN-UHFFFAOYSA-N |
Boiling Point: | 288.7 ℃ at 760 mmHg |
Melting Point: | 142-144 ℃ |
Purity: | 98 % |
Density: | 1.31 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00079736 |
LogP: | 2.34660 |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113307758-A | P2X7 receptor targeting probe precursor labeled by medical radioactive isotope | 20210610 |
CN-111635404-A | Preparation method of dovinisine | 20200717 |
CN-111675710-A | Preparation method of dovinisine | 20200717 |
CN-110372526-A | A kind of preparation method of 3- methyl-2-amino benzoic acid | 20190730 |
CN-111732520-A | Preparation method of 3-methyl-2-aminobenzoic acid | 20190730 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0134572 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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