Name: Name:Benzene, 1-(bromomethyl)-2-methoxy-4-nitro-
Brand: AABLOCKS
SKU: AA00IG2I
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00IG2I

Chemical Name: Benzene, 1-(bromomethyl)-2-methoxy-4-nitro-

CAS Number: 90434-16-5

Molecular Formula: C8H8BrNO3

Molecular Weight: 246.0580

MDL Number: MFCD09264030

SMILES: COc1cc(ccc1CBr)[N+](=O)[O-]

Properties

Complexity: 183

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.3

Downstream Synthesis Route

13120-77-9

90434-16-5

[1]EuropeanJournalofMedicinalChemistry,2019,vol.184

[2]Patent:US2004/214798,2004,A1.Locationinpatent:Page17

[3]Patent:WO2019/191502,2019,A1.Locationinpatent:Page/Pagecolumn6;52-53

[4]ChemicalandPharmaceuticalBulletin,2004,vol.52,p.818-829

[5]BioorganicandMedicinalChemistry,2011,vol.19,p.3156-3172

136507-14-7

90434-16-5

[1]JournalofMedicinalChemistry,2006,vol.49,p.4896-4911

90434-16-5

136507-14-7

[1]Patent:US2004/214798,2004,A1.Locationinpatent:Page17

[2]ChemicalandPharmaceuticalBulletin,2004,vol.52,p.818-829

[3]Patent:WO2019/191502,2019,A1.Locationinpatent:Page/Pagecolumn6

90434-16-5 | Benzene, 1-(bromomethyl)-2-methoxy-4-nitro-