2,6-Difluoro-4-methylbenzoic Acid - CAS 1201597-23-0
Catalog: |
BB004734 |
Product Name: |
2,6-Difluoro-4-methylbenzoic Acid |
CAS: |
1201597-23-0 |
Synonyms: |
2,6-difluoro-4-methylbenzoic acid; 2,6-difluoro-4-methylbenzoic acid |
IUPAC Name: | 2,6-difluoro-4-methylbenzoic acid |
Description: | 2,6-Difluoro-4-methylbenzoic Acid (CAS# 1201597-23-0) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | CC1=CC(=C(C(=C1)F)C(=O)O)F |
InChI: | InChI=1S/C8H6F2O2/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H,11,12) |
InChI Key: | NSHGGEJETYWOKY-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
Storage: | Sealed in dry, Room Temperature |
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 |
JP-2020145299-A | Organic electronics materials, ink compositions for organic electronics materials, organic layers for organic electronics equipment and organic electronics equipment | 20190306 |
TW-202030190-A | Imidazopyridine derivatives | 20181030 |
TW-I717080-B | Imidazopyridine derivatives | 20181030 |
US-2020181128-A1 | 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase | 20170901 |
WO-2019043103-A1 | 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | 20170901 |
Complexity: | 172 |
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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