1-bromo-3-methoxy-5-methylbenzene - CAS 29578-83-4
Catalog: |
BB020243 |
Product Name: |
1-bromo-3-methoxy-5-methylbenzene |
CAS: |
29578-83-4 |
Synonyms: |
1-bromo-3-methoxy-5-methylbenzene; 1-bromo-3-methoxy-5-methylbenzene |
IUPAC Name: | 1-bromo-3-methoxy-5-methylbenzene |
Description: | 1-bromo-3-methoxy-5-methylbenzene (CAS# 29578-83-4) is a compound useful in organic synthesis. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CC1=CC(=CC(=C1)Br)OC |
InChI: | InChI=1S/C8H9BrO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,1-2H3 |
InChI Key: | AOEVRCZZWJWKPG-UHFFFAOYSA-N |
Boiling Point: | 228.441 °C at 760 mmHg |
Density: | 1.378 g/cm3 |
LogP: | 2.76610 |
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 |
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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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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