2-Methoxy-6-nitrobenzyl Bromide - CAS 19689-86-2
Catalog:
BB015216
Product Name:
2-Methoxy-6-nitrobenzyl Bromide
CAS:
19689-86-2
Synonyms:
Benzene, 2-(bromomethyl)-1-methoxy-3-nitro-; 2-bromomethyl-1-methoxy-3-nitro-benzene
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BB015216
5 g
$880
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BB015216
100 g
$2990
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IUPAC Name: 2-(bromomethyl)-1-methoxy-3-nitrobenzene
Molecular Weight: 246.06
Molecular Formula: C8H8BrNO3
Canonical SMILES: COC1=CC=CC(=C1CBr)[N+](=O)[O-]
InChI: InChI=1S/C8H8BrNO3/c1-13-8-4-2-3-7(10(11)12)6(8)5-9/h2-4H,5H2,1H3
InChI Key: QWZQICKUZAGVFN-UHFFFAOYSA-N
Boiling Point: 316.6±27.0 °C (Predicted)
Purity: 98%
Density: 1.589±0.06 g/cm3 (Predicted)
LogP: 3.02150
Publication Number Title Priority Date
WO-2020219720-A1 Allosteric activators of the alpha1a -adrenergic receptor 20190423
TW-201831457-A Novel fungicidal carbamate compounds 20170130
WO-2018138692-A1 Novel fungicidal carbamate compounds 20170130
EP-3421454-A1 Piperidine derivative 20160226
JP-WO2017146246-A1 Piperidine derivatives 20160226
Complexity: 183
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 244.96876
Formal Charge: 0
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 244.96876
Rotatable Bond Count: 2
Topological Polar Surface Area: 55
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.9
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