Basic information
- Standard SMILES
NC(=O)NCc1c(F)cccc1F- InChIKey
XJGQUIHBNMXOQE-UHFFFAOYSA-N- Molecular formula
- C8H8F2N2O
- Average molar mass
- 186.16 g/mol
- Monoisotopic mass
- 186.06046932
Names & identifiers
- Preferred name
- Urea, (2,6-difluorobenzyl)-
- IUPAC
- (2,6-difluorophenyl)methylurea
- English name
- (2,6-Difluoro-benzyl)-urea
- Molecular formula
- C8H8F2N2O
- Molecular weight
- 186.16
Names & synonyms
17751-24-5Urea, (2,6-difluorobenzyl)-(2,6-Difluorobenzyl)urea(2,6-Difluorophenylmethyl)ureaBRN 3052496DTXSID30170321RefChem:387085DTXCID1092812(2,6-difluorophenyl)methylurea(2,6-DIFLUORO-BENZYL)-UREAMFCD01676358(2,6-difluorobenzyl)-urea
Show more names
Urea, N-[(2,6-difluorophenyl)methyl]-
[(2,6-difluorophenyl)methyl]urea1-(2,6-difluorobenzyl)ureaUrea,N-[(2,6-difluorophenyl)methyl]-2,6-difluorobenzyl ureaSCHEMBL127089XJGQUIHBNMXOQE-UHFFFAOYSA-NN-[(2,6-Difluorophenyl)methyl]ureaAKOS006277633
Database identifiers
- CAS
17751-24-5- PubChem CID
- 205282
- DTXSID
DTXSID30170321- Nikkaji
- J2.032.751K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 276.4 · 276.4±40.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 12.75 · 12.75±0.46(Predicted)
Chemistry & industry
Suppliers1 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
6 records
Linked notes
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