Methyl 2-(chloromethyl)oxazole-4-carboxylate

C6H6ClNO3CAS 208465-72-9175.57 g/mol

Open in Covalent MOL file
OOOClN
Alkyl halideEster

Properties

Molecular formula
C6H6ClNO3
Molar mass
175.57 g/mol
Exact mass
175.0036 Da
logP
1.20Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
208465-72-9
SMILES
COC(=O)c1coc(CCl)n1
InChIKey
CMUKPCIZFMTLKD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClNO3/c1-10-6(9)4-3-11-5(2-7)8-4/h3H,2H2,1H3

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Names and synonyms

2 names
  • 4-Oxazolecarboxylic acid, 2-(chloromethyl)-, methyl ester
  • Methyl 2-(chloromethyl)-1,3-oxazole-4-carboxylate

Work with Methyl 2-(chloromethyl)oxazole-4-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-045 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-845 % similar Methyl 5-(chloromethyl)-2-furoate2144-37-844 % similar Methyl 4-(chloromethyl)benzoate34040-64-744 % similar Methyl 6-chloropicolinate6636-55-143 % similar 2-Chloromethylpyridine-5-carboxylic acid methyl ester49668-90-842 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-542 % similar Methyl 6-chloropyrazine-2-carboxylate23611-75-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-chlorooxazole-4-carboxylate460081-18-9 Ethyl 2-chloro-1,3-oxazole-5-carboxylate862599-47-1

Elsewhere

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