(2E)-2-phenylmethoxyiminoacetyl chloride

C9H8ClNO2 — CID 135240017

IUPAC(2E)-2-phenylmethoxyiminoacetyl chloride
SMILESO=C(Cl)/C=N/OCc1ccccc1
InChIInChI=1S/C9H8ClNO2/c10-9(12)6-11-13-7-8-4-2-1-3-5-8/h1-6H,7H2/b11-6+
InChIKeyQVYIMCYDJIEJRI-IZZDOVSWSA-N
MW197.62 g/mol
LogP1.95
Rot. Bonds4

About (2E)-2-phenylmethoxyiminoacetyl chloride

(2E)-2-phenylmethoxyiminoacetyl chloride (PubChem CID 135240017) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is (2E)-2-phenylmethoxyiminoacetyl chloride.

Molecular Properties

Compound Name(2E)-2-phenylmethoxyiminoacetyl chloride
PubChem CID135240017
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name(2E)-2-phenylmethoxyiminoacetyl chloride
SMILESO=C(Cl)/C=N/OCc1ccccc1
InChIInChI=1S/C9H8ClNO2/c10-9(12)6-11-13-7-8-4-2-1-3-5-8/h1-6H,7H2/b11-6+
InChIKeyQVYIMCYDJIEJRI-IZZDOVSWSA-N
XLogP1.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
CID 15882424
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
(2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid
CID 139891661
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
2-phenylmethoxyiminoacetaldehyde
CID 56611193
2-[(E)-phenylmethoxyiminomethyl]benzoic acid
CID 46567047
(E)-3-phenylmethoxyprop-2-enoyl chloride
CID 638415
N'-[(Z)-phenylmethoxyiminomethyl]ethanimidamide
CID 155392690
1-(3-chlorothiophen-2-yl)-3-phenylmethoxyiminopropan-1-one
CID 3697225
benzyl carbonochloridate
CID 10387
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097

Frequently Asked Questions

What is the IUPAC name of (2E)-2-phenylmethoxyiminoacetyl chloride?
The IUPAC name of (2E)-2-phenylmethoxyiminoacetyl chloride (CID 135240017) is (2E)-2-phenylmethoxyiminoacetyl chloride.
What is the SMILES notation for (2E)-2-phenylmethoxyiminoacetyl chloride?
The canonical SMILES for (2E)-2-phenylmethoxyiminoacetyl chloride is O=C(Cl)/C=N/OCc1ccccc1.
What is the InChIKey of (2E)-2-phenylmethoxyiminoacetyl chloride?
The InChIKey is QVYIMCYDJIEJRI-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-9(12)6-11-13-7-8-4-2-1-3-5-8/h1-6H,7H2/b11-6+.
What are the key properties of (2E)-2-phenylmethoxyiminoacetyl chloride?
(2E)-2-phenylmethoxyiminoacetyl chloride has a molecular weight of 197.62 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-phenylmethoxyiminoacetyl chloride is sourced from PubChem (CID 135240017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).