ethyl (1Z)-2-bromo-2-phenylethanehydrazonate

C10H13BrN2O — CID 88617294

IUPACethyl (1Z)-2-bromo-2-phenylethanehydrazonate
SMILESCCO/C(=N\N)C(Br)c1ccccc1
InChIInChI=1S/C10H13BrN2O/c1-2-14-10(13-12)9(11)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3/b13-10-
InChIKeyRIFAPNDALGGAPM-RAXLEYEMSA-N
MW257.13 g/mol
LogP2.43
Rot. Bonds3

About ethyl (1Z)-2-bromo-2-phenylethanehydrazonate

ethyl (1Z)-2-bromo-2-phenylethanehydrazonate (PubChem CID 88617294) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is ethyl (1Z)-2-bromo-2-phenylethanehydrazonate.

Molecular Properties

Compound Nameethyl (1Z)-2-bromo-2-phenylethanehydrazonate
PubChem CID88617294
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Nameethyl (1Z)-2-bromo-2-phenylethanehydrazonate
SMILESCCO/C(=N\N)C(Br)c1ccccc1
InChIInChI=1S/C10H13BrN2O/c1-2-14-10(13-12)9(11)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3/b13-10-
InChIKeyRIFAPNDALGGAPM-RAXLEYEMSA-N
XLogP2.43
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxopropyl 2-bromo-2-phenylacetate
CID 102432807
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
octyl (2R)-2-bromo-2-phenylacetate
CID 101234895
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
2-bromo-2-phenylethaneperoxoic acid
CID 121326341
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
propan-2-yl (2S)-2-bromo-2-phenylacetate
CID 124636083
diethyl 2-bromopropanedioate;toluene
CID 174851876
ethyl 4-nitroso-3-phenylpentanoate
CID 91897581

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-2-bromo-2-phenylethanehydrazonate?
The IUPAC name of ethyl (1Z)-2-bromo-2-phenylethanehydrazonate (CID 88617294) is ethyl (1Z)-2-bromo-2-phenylethanehydrazonate.
What is the SMILES notation for ethyl (1Z)-2-bromo-2-phenylethanehydrazonate?
The canonical SMILES for ethyl (1Z)-2-bromo-2-phenylethanehydrazonate is CCO/C(=N\N)C(Br)c1ccccc1.
What is the InChIKey of ethyl (1Z)-2-bromo-2-phenylethanehydrazonate?
The InChIKey is RIFAPNDALGGAPM-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-14-10(13-12)9(11)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3/b13-10-.
What are the key properties of ethyl (1Z)-2-bromo-2-phenylethanehydrazonate?
ethyl (1Z)-2-bromo-2-phenylethanehydrazonate has a molecular weight of 257.13 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-2-bromo-2-phenylethanehydrazonate is sourced from PubChem (CID 88617294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).