[4-(bromomethyl)phenyl]iminoazanide

C7H6BrN2- — CID 134952172

IUPAC[4-(bromomethyl)phenyl]iminoazanide
SMILES[N-]=Nc1ccc(CBr)cc1
InChIInChI=1S/C7H6BrN2/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5H2/q-1
InChIKeyCHOSMQJISHCMII-UHFFFAOYSA-N
MW198.04 g/mol
LogP3.23
Rot. Bonds2

About [4-(bromomethyl)phenyl]iminoazanide

[4-(bromomethyl)phenyl]iminoazanide (PubChem CID 134952172) has the molecular formula C7H6BrN2- and a molecular weight of 198.04 g/mol. Its IUPAC name is [4-(bromomethyl)phenyl]iminoazanide.

Molecular Properties

Compound Name[4-(bromomethyl)phenyl]iminoazanide
PubChem CID134952172
Molecular FormulaC7H6BrN2-
Molecular Weight198.04 g/mol
Exact Mass196.97
IUPAC Name[4-(bromomethyl)phenyl]iminoazanide
SMILES[N-]=Nc1ccc(CBr)cc1
InChIInChI=1S/C7H6BrN2/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5H2/q-1
InChIKeyCHOSMQJISHCMII-UHFFFAOYSA-N
XLogP3.23
TPSA34.66 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.04
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(bromomethyl)phenyl]methanamine
CID 24721042
CID 57470384
CID 57470384
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
tris[4-(bromomethyl)phenyl]phosphane
CID 58675353
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
CID 101188432
1-(bromomethyl)-4-[(1R,2S)-1,2-dibromo-2-[4-(bromomethyl)phenyl]ethyl]benzene
CID 98159586
1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene
CID 5064576
magnesium;1-(bromomethyl)-4-fluorobenzene;hydride
CID 173010719
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
sodium 4-(bromomethyl)benzoate
CID 23662147
potassium 4-(bromomethyl)benzoate
CID 102001978
[4-(bromomethyl)phenyl] thiohypochlorite
CID 19023327

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)phenyl]iminoazanide?
The IUPAC name of [4-(bromomethyl)phenyl]iminoazanide (CID 134952172) is [4-(bromomethyl)phenyl]iminoazanide.
What is the SMILES notation for [4-(bromomethyl)phenyl]iminoazanide?
The canonical SMILES for [4-(bromomethyl)phenyl]iminoazanide is [N-]=Nc1ccc(CBr)cc1.
What is the InChIKey of [4-(bromomethyl)phenyl]iminoazanide?
The InChIKey is CHOSMQJISHCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN2/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5H2/q-1.
What are the key properties of [4-(bromomethyl)phenyl]iminoazanide?
[4-(bromomethyl)phenyl]iminoazanide has a molecular weight of 198.04 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)phenyl]iminoazanide is sourced from PubChem (CID 134952172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).