chempirical

Methyl N-(3,4-dichlorophenyl)carbamate

C8H7Cl2NO2CAS 1918-18-9220.05 g/mol

Open in Covalent MOL file
OOHNClCl
Aryl halide

Properties

Molecular formula
C8H7Cl2NO2
Molar mass
220.05 g/mol
Exact mass
218.9854 Da
Melting point
112–114 °C
logP
3.19Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1918-18-9
SMILES
COC(O)=Nc1ccc(Cl)c(Cl)c1
InChIKey
WOZQBERUBLYCEG-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)

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Names and synonyms

10 names
  • Carbamic acid, N-(3,4-dichlorophenyl)-, methyl ester
  • Carbanilic acid, 3,4-dichloro-, methyl ester
  • Carbamic acid, (3,4-dichlorophenyl)-, methyl ester
  • NIA 2995
  • MCC (herbicide)
  • Methyl 3,4-dichlorocarbanilate
  • Swep
  • Methyl 3,4-dichlorophenylcarbamate
  • MCC
  • 3,4-Dichlorophenylcarbamic acid methyl ester

Work with Methyl N-(3,4-dichlorophenyl)carbamate

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

Linuron330-55-254 % similar Dcmu330-54-153 % similar Propanil709-98-853 % similar Phenmedipham13684-63-451 % similar Triclocarban101-20-244 % similar 3,4-Dichlorophenyl isocyanate102-36-341 % similar N-(3-Amino-4-chlorophenyl)acetamide51867-83-540 % similar Chlorpropham101-21-340 % similar

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

Elsewhere

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