Basic information
- Standard SMILES
COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1- InChIKey
XNGYGYCHKIIUTD-UHFFFAOYSA-N- Molecular formula
- C22H19NO3
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- (9H-fluoren-9-yl)methyl N-(4-methoxyphenyl)carbamate
- IUPAC
- 9H-fluoren-9-ylmethyl N-(4-methoxyphenyl)carbamate
- English name
- Carbamic acid, (4-methoxyphenyl)-, 9H-fluoren-9-ylmethyl ester (9CI)
- Molecular formula
- C22H19NO3
- Molecular weight
- 345.39
Names & synonyms
302567-98-2(9H-fluoren-9-yl)methyl N-(4-methoxyphenyl)carbamateN-Fluoren-9-ylmethoxycarbonyl-4-methoxyanilineOprea1_421191HS-68719H-fluoren-9-ylmethyl 4-methoxyphenylcarbamateAG-205/40042657SR-01000509730SR-01000509730-1Carbamic acid, (4-methoxyphenyl)-, 9H-fluoren-9-ylmethyl ester (9CI)
Database identifiers
- CAS
302567-98-2- Nikkaji
- J2.356.419J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Melting point
- 181 · 181-182 °C (decomp)
- Boiling point
- 489.9 · 489.9±28.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 12.66 · 12.66±0.70(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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