2-Bromo-3-fluorotoluene - CAS 59907-13-0
Catalog: |
BB030554 |
Product Name: |
2-Bromo-3-fluorotoluene |
CAS: |
59907-13-0 |
Synonyms: |
2-bromo-1-fluoro-3-methylbenzene; 2-bromo-1-fluoro-3-methylbenzene |
IUPAC Name: | 2-bromo-1-fluoro-3-methylbenzene |
Description: | 2-Bromo-3-fluorotoluene (CAS# 59907-13-0) is a useful research chemical. |
Molecular Weight: | 189.02 |
Molecular Formula: | C7H6BrF |
Canonical SMILES: | CC1=C(C(=CC=C1)F)Br |
InChI: | InChI=1S/C7H6BrF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3 |
InChI Key: | FYCXRRYRNRDSRM-UHFFFAOYSA-N |
Boiling Point: | 182.8 °C at 760 mmHg |
Density: | 1.498 g/cm3 |
MDL: | MFCD08458010 |
LogP: | 2.89660 |
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-112159405-A | Pyridopyrimidinone compounds and application thereof | 20200204 |
CN-112159405-B | Pyridopyrimidinone compounds and application thereof | 20200204 |
WO-2021144439-A1 | Quinoxaline derivatives | 20200117 |
CN-113087700-A | Spirocyclic tetrahydroquinazolines | 20200108 |
US-2021230174-A1 | Spirocyclic tetrahydroquinazolines | 20200108 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.96369 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.96369 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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