1-(dibromomethyl)-2-nitrobenzene

C7H5Br2NO2 — CID 11066341

IUPAC1-(dibromomethyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1C(Br)Br
InChIInChI=1S/C7H5Br2NO2/c8-7(9)5-3-1-2-4-6(5)10(11)12/h1-4,7H
InChIKeyHETXONIWLNSRGY-UHFFFAOYSA-N
MW294.93 g/mol
LogP3.38
Rot. Bonds2

About 1-(dibromomethyl)-2-nitrobenzene

1-(dibromomethyl)-2-nitrobenzene (PubChem CID 11066341) has the molecular formula C7H5Br2NO2 and a molecular weight of 294.93 g/mol. Its IUPAC name is 1-(dibromomethyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-(dibromomethyl)-2-nitrobenzene
PubChem CID11066341
Molecular FormulaC7H5Br2NO2
Molecular Weight294.93 g/mol
Exact Mass292.87
IUPAC Name1-(dibromomethyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1C(Br)Br
InChIInChI=1S/C7H5Br2NO2/c8-7(9)5-3-1-2-4-6(5)10(11)12/h1-4,7H
InChIKeyHETXONIWLNSRGY-UHFFFAOYSA-N
XLogP3.38
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2S)-2-bromo-2-(2-nitrophenyl)acetaldehyde
CID 138680871
1,3-dibromo-1,3-bis(2-nitrophenyl)propan-2-one
CID 101219469
(2S)-2-bromo-2-(2-nitrophenyl)acetic acid
CID 97170538
1-[1,2-dibromo-2-(2-chlorophenyl)ethyl]-2-nitrobenzene
CID 19937623
2,2-bis(2-nitrophenyl)acetonitrile
CID 2750302
2-(2-nitrophenyl)propanedioic acid
CID 18413218
1,5-dibromo-2,4-bis(2-nitrophenyl)pentan-3-one
CID 152545719
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2,2,2-trichloro-1-(2-nitrophenyl)ethanol
CID 11207975
2-bromo-3-hydroxy-3-(2-nitrophenyl)-1-phenylpropan-1-one
CID 50901136
(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine
CID 131529509
(1S)-1-(2-nitrophenyl)prop-2-en-1-amine
CID 131167778

Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethyl)-2-nitrobenzene?
The IUPAC name of 1-(dibromomethyl)-2-nitrobenzene (CID 11066341) is 1-(dibromomethyl)-2-nitrobenzene.
What is the SMILES notation for 1-(dibromomethyl)-2-nitrobenzene?
The canonical SMILES for 1-(dibromomethyl)-2-nitrobenzene is O=[N+]([O-])c1ccccc1C(Br)Br.
What is the InChIKey of 1-(dibromomethyl)-2-nitrobenzene?
The InChIKey is HETXONIWLNSRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2NO2/c8-7(9)5-3-1-2-4-6(5)10(11)12/h1-4,7H.
What are the key properties of 1-(dibromomethyl)-2-nitrobenzene?
1-(dibromomethyl)-2-nitrobenzene has a molecular weight of 294.93 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)-2-nitrobenzene is sourced from PubChem (CID 11066341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).