3-Chloro-4-fluorobenzoic Acid - CAS 403-16-7
Catalog: |
BB024447 |
Product Name: |
3-Chloro-4-fluorobenzoic Acid |
CAS: |
403-16-7 |
Synonyms: |
3-chloro-4-fluorobenzoic acid; 3-chloro-4-fluorobenzoic acid |
IUPAC Name: | 3-chloro-4-fluorobenzoic acid |
Description: | 3-Chloro-4-fluorobenzoic Acid (CAS# 403-16-7) is a useful research chemical. |
Molecular Weight: | 174.56 |
Molecular Formula: | C7H4ClFO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Cl)F |
InChI: | InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) |
InChI Key: | PKTSBFXIHLYGEY-UHFFFAOYSA-N |
Boiling Point: | 287.4 ℃ at 760 mmHg |
Density: | 1.477 g/cm3 |
MDL: | MFCD00042477 |
LogP: | 2.17730 |
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 |
WO-2021170886-A2 | Electronic device | 20200806 |
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Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.9883852 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.9883852 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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