chempirical

N-Chloroacetylglycine

C4H6ClNO3CAS 6319-96-6151.55 g/mol

Open in Covalent MOL file
OHONHOCl
Alkyl halideAmideCarboxylic acid

Properties

Molecular formula
C4H6ClNO3
Molar mass
151.55 g/mol
Exact mass
151.0036 Da
logP
-0.57Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6319-96-6
SMILES
C(C(=O)O)NC(=O)CCl
InChIKey
DLDTUYIGYMNERN-UHFFFAOYSA-N
InChI
InChI=1S/C4H6ClNO3/c5-1-3(7)6-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)

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Work with N-Chloroacetylglycine

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

Tetraglycine637-84-355 % similar Chloroacetic acid79-11-852 % similar Hydantoic acid462-60-248 % similar Iminodiacetic acid142-73-446 % similar Glycocyamine352-97-645 % similar N-Hippurylglycine1145-32-045 % similar N-(tert-Butoxycarbonyl)glycylglycine31972-52-845 % similar Potassium azeloyl diglycinate477773-67-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-chloro-2-(hydroxyimino)acetate14337-43-0

Elsewhere

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