2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene

C11H10BrCl2NO3 — CID 65014052

IUPAC2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)c(OCC2(CBr)CC2)c(Cl)c1
InChIInChI=1S/C11H10BrCl2NO3/c12-5-11(1-2-11)6-18-10-8(13)3-7(15(16)17)4-9(10)14/h3-4H,1-2,5-6H2
InChIKeyGMPZFXBDSDIWDO-UHFFFAOYSA-N
MW355.02 g/mol
LogP4.46
Rot. Bonds5

About 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene

2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene (PubChem CID 65014052) has the molecular formula C11H10BrCl2NO3 and a molecular weight of 355.02 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene
PubChem CID65014052
Molecular FormulaC11H10BrCl2NO3
Molecular Weight355.02 g/mol
Exact Mass352.92
IUPAC Name2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)c(OCC2(CBr)CC2)c(Cl)c1
InChIInChI=1S/C11H10BrCl2NO3/c12-5-11(1-2-11)6-18-10-8(13)3-7(15(16)17)4-9(10)14/h3-4H,1-2,5-6H2
InChIKeyGMPZFXBDSDIWDO-UHFFFAOYSA-N
XLogP4.46
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.02
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(bromomethyl)cyclohexyl]methoxy]-1,3-dichloro-5-nitrobenzene
CID 65002104
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4,5-dichloro-2-nitrobenzene
CID 107499504
1-bromo-2-[[1-(bromomethyl)cyclohexyl]methoxy]-5-chloro-3-nitrobenzene
CID 65002204
2-[[1-(bromomethyl)cyclopropyl]methoxy]-5-chloro-1,3-dimethylbenzene
CID 65008475
2-[[1-(bromomethyl)cyclobutyl]methoxy]-1-methyl-4-nitrobenzene
CID 65007790
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-methyl-4-nitrobenzene
CID 113369535
1-(bromomethyl)-1-[(5-chloro-2-nitrophenoxy)methyl]cycloheptane
CID 65010311
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65008634
2-[2-(bromomethyl)phenoxy]-1,3-dichloro-5-nitrobenzene
CID 107088258
2-[4-(bromomethyl)-2-chlorophenoxy]-1,3-dichloro-5-nitrobenzene
CID 107088251
1-cyclopentyl-2-(2,6-dichloro-4-nitrophenoxy)ethanone
CID 104752005

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene?
The IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene (CID 65014052) is 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene is O=[N+]([O-])c1cc(Cl)c(OCC2(CBr)CC2)c(Cl)c1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene?
The InChIKey is GMPZFXBDSDIWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NO3/c12-5-11(1-2-11)6-18-10-8(13)3-7(15(16)17)4-9(10)14/h3-4H,1-2,5-6H2.
What are the key properties of 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene?
2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene has a molecular weight of 355.02 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,3-dichloro-5-nitrobenzene is sourced from PubChem (CID 65014052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).