methyl 2-(4-bromophenyl)ethanimidate;hydrochloride

C9H11BrClNO — CID 12624592

IUPACmethyl 2-(4-bromophenyl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc(Br)cc1)OC
InChIInChI=1S/C9H10BrNO.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5,11H,6H2,1H3;1H/b11-9-;
InChIKeyGIIKTKFJROGEBO-KSIDEHCFSA-N
MW264.55 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-(4-bromophenyl)ethanimidate;hydrochloride

methyl 2-(4-bromophenyl)ethanimidate;hydrochloride (PubChem CID 12624592) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)ethanimidate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)ethanimidate;hydrochloride
PubChem CID12624592
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Namemethyl 2-(4-bromophenyl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc(Br)cc1)OC
InChIInChI=1S/C9H10BrNO.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5,11H,6H2,1H3;1H/b11-9-;
InChIKeyGIIKTKFJROGEBO-KSIDEHCFSA-N
XLogP3.04
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)ethanimidate;hydrochloride?
The IUPAC name of methyl 2-(4-bromophenyl)ethanimidate;hydrochloride (CID 12624592) is methyl 2-(4-bromophenyl)ethanimidate;hydrochloride.
What is the SMILES notation for methyl 2-(4-bromophenyl)ethanimidate;hydrochloride?
The canonical SMILES for methyl 2-(4-bromophenyl)ethanimidate;hydrochloride is Cl.[H]/N=C(/Cc1ccc(Br)cc1)OC.
What is the InChIKey of methyl 2-(4-bromophenyl)ethanimidate;hydrochloride?
The InChIKey is GIIKTKFJROGEBO-KSIDEHCFSA-N. The full InChI is InChI=1S/C9H10BrNO.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5,11H,6H2,1H3;1H/b11-9-;.
What are the key properties of methyl 2-(4-bromophenyl)ethanimidate;hydrochloride?
methyl 2-(4-bromophenyl)ethanimidate;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)ethanimidate;hydrochloride is sourced from PubChem (CID 12624592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).