2,3-Difluoro-4-methylbenzoic acid - CAS 261763-37-5
Catalog: |
BB019173 |
Product Name: |
2,3-Difluoro-4-methylbenzoic acid |
CAS: |
261763-37-5 |
Synonyms: |
2,3-difluoro-4-methylbenzoic acid; 2,3-difluoro-4-methylbenzoic acid |
IUPAC Name: | 2,3-difluoro-4-methylbenzoic acid |
Description: | 2,3-Difluoro-4-methylbenzoic acid (CAS# 261763-37-5) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | CC1=C(C(=C(C=C1)C(=O)O)F)F |
InChI: | InChI=1S/C8H6F2O2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,1H3,(H,11,12) |
InChI Key: | ANVIYYKETYLSRV-UHFFFAOYSA-N |
Boiling Point: | 274 °C at 760 mmHg |
Melting Point: | 199-201 °C |
Purity: | 95 % |
Density: | 1.359 g/cm3 |
MDL: | MFCD01631643 |
LogP: | 1.97140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110872247-A | Xofluza sulfur-containing heterocyclic compound, intermediate thereof and preparation method | 20180829 |
US-2020149034-A1 | Methods and Compositions for Synthesis of Encoded Libraries | 20170317 |
EP-3428150-A1 | Aromatic ring compound | 20160311 |
JP-WO2017155050-A1 | Aromatic ring compounds | 20160311 |
US-10548877-B2 | Aromatic ring compound | 20160311 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03358575 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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