2-Bromo-3-methylbenzaldehyde - CAS 109179-31-9
Catalog: |
BB002388 |
Product Name: |
2-Bromo-3-methylbenzaldehyde |
CAS: |
109179-31-9 |
Synonyms: |
2-bromo-3-methylbenzaldehyde; 2-bromo-3-methylbenzaldehyde |
IUPAC Name: | 2-bromo-3-methylbenzaldehyde |
Description: | 2-Bromo-3-methylbenzaldehyde (CAS# 109179-31-9) is a useful research chemical. |
Molecular Weight: | 199.04 |
Molecular Formula: | C8H7BrO |
Canonical SMILES: | CC1=CC=CC(=C1Br)C=O |
InChI: | InChI=1S/C8H7BrO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3 |
InChI Key: | CYQUDJGXCABLPN-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD18392002 |
LogP: | 2.57000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021097057-A1 | 5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity | 20191112 |
WO-2021059287-A1 | Light induced catalytic c-h oxygenation of alkanes | 20190926 |
US-2020340982-A1 | Photoaffinity probes | 20190320 |
WO-2020191339-A1 | Photoaffinity probes | 20190320 |
TW-202100532-A | Fused tricyclic compounds | 20190305 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.96803 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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