benzyl 2-chloro-2-hydroxyiminoacetate

C9H8ClNO3 — CID 6823766

IUPACbenzyl 2-chloro-2-hydroxyiminoacetate
SMILESO=C(OCc1ccccc1)C(Cl)=NO
InChIInChI=1S/C9H8ClNO3/c10-8(11-13)9(12)14-6-7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKeyDJQOAGXKANQNJN-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.76
Rot. Bonds3

About benzyl 2-chloro-2-hydroxyiminoacetate

benzyl 2-chloro-2-hydroxyiminoacetate (PubChem CID 6823766) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is benzyl 2-chloro-2-hydroxyiminoacetate.

Molecular Properties

Compound Namebenzyl 2-chloro-2-hydroxyiminoacetate
PubChem CID6823766
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Namebenzyl 2-chloro-2-hydroxyiminoacetate
SMILESO=C(OCc1ccccc1)C(Cl)=NO
InChIInChI=1S/C9H8ClNO3/c10-8(11-13)9(12)14-6-7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKeyDJQOAGXKANQNJN-UHFFFAOYSA-N
XLogP1.76
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-chloro-2-oxoacetate
CID 11019858
benzyl carbonochloridate
CID 10387
benzyl 7-chloro-2-hydroxyiminoheptanoate
CID 73432719
benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate
CID 44891149
benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate
CID 98118001
dibenzyl (2E)-2-hydroxyiminopentanedioate
CID 46183552
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
1-O-benzyl 2-O-(2,2,2-trichloroethyl) oxalate
CID 68795649
benzyl (E)-3-[[amino(chloro)methylidene]amino]-2-methylprop-2-enoate
CID 146259484
benzyl (3S)-3-amino-2-oxo-4-phenylbutanoate
CID 22822919
CID 174906307
CID 174906307
benzyl 2-amino-2-hydroxyacetate
CID 123342440

Frequently Asked Questions

What is the IUPAC name of benzyl 2-chloro-2-hydroxyiminoacetate?
The IUPAC name of benzyl 2-chloro-2-hydroxyiminoacetate (CID 6823766) is benzyl 2-chloro-2-hydroxyiminoacetate.
What is the SMILES notation for benzyl 2-chloro-2-hydroxyiminoacetate?
The canonical SMILES for benzyl 2-chloro-2-hydroxyiminoacetate is O=C(OCc1ccccc1)C(Cl)=NO.
What is the InChIKey of benzyl 2-chloro-2-hydroxyiminoacetate?
The InChIKey is DJQOAGXKANQNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-8(11-13)9(12)14-6-7-4-2-1-3-5-7/h1-5,13H,6H2.
What are the key properties of benzyl 2-chloro-2-hydroxyiminoacetate?
benzyl 2-chloro-2-hydroxyiminoacetate has a molecular weight of 213.62 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-chloro-2-hydroxyiminoacetate is sourced from PubChem (CID 6823766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).