3-Bromo-4-methylbenzyl alcohol - CAS 68120-35-4
Catalog: |
BB033474 |
Product Name: |
3-Bromo-4-methylbenzyl alcohol |
CAS: |
68120-35-4 |
Synonyms: |
(3-bromo-4-methylphenyl)methanol |
IUPAC Name: | (3-bromo-4-methylphenyl)methanol |
Description: | 3-Bromo-4-methylbenzyl alcohol (CAS# 68120-35-4) is a useful research chemical. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CC1=C(C=C(C=C1)CO)Br |
InChI: | InChI=1S/C8H9BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3 |
InChI Key: | ZRBDUKUJADUIEO-UHFFFAOYSA-N |
LogP: | 2.24980 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020035031-A1 | Fused ring compounds | 20180816 |
AU-2019320945-A1 | Fused ring compounds | 20180816 |
CA-3086867-A1 | Fused ring compounds | 20180816 |
EP-3746436-A1 | Fused ring compounds | 20180816 |
KR-20200115549-A | Fused ring compound | 20180816 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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