Carbazic acid, 3-(p-fluoro-alpha-methylbenzyl)-, methyl ester
Basic information
- CAS
717-17-9- Standard SMILES
COC(=O)NNC(C)c1ccc(F)cc1- InChIKey
VVWMCYCIYUMQBV-UHFFFAOYSA-N- Molecular formula
- C10H13FN2O2
- Average molar mass
- 212.22 g/mol
- Monoisotopic mass
- 212.09610582
Names & identifiers
- Preferred name
- Carbazic acid, 3-(p-fluoro-alpha-methylbenzyl)-, methyl ester
- IUPAC
- methyl N-[1-(4-fluorophenyl)ethylamino]carbamate
- English name
- 3-(p-Fluoro-α-methylbenzyl)carbazic acid methyl ester
- Molecular formula
- C10H13FN2O2
- Molecular weight
- 212.22
Names & synonyms
717-17-9Methyl (p-fluoro-alpha-methylbenzyl)carbazateBRN 0653318CARBAZIC ACID, 3-(p-FLUORO-alpha-METHYLBENZYL)-, METHYL ESTERRefChem:333222methyl N-[1-(4-fluorophenyl)ethylamino]carbamateDTXSID00992310Methyl hydrogen [1-(4-fluorophenyl)ethyl]carbonohydrazonate3-(p-Fluoro-α-methylbenzyl)carbazic acid methyl esterHydrazinecarboxylic acid, 2-[1-(4-fluorophenyl)ethyl]-, methyl ester
Database identifiers
- CAS
717-17-9- PubChem CID
- 12857
- DTXSID
DTXSID00992310- Nikkaji
- J55.525H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
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Compound notes
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