9-Fluorenylmethyl 1-benzotriazolyl carbonate

C21H15N3O3CAS 82911-71-5357.37 g/mol

Open in Covalent MOL file
OOONNN
Carbonate

Properties

Molecular formula
C21H15N3O3
Molar mass
357.37 g/mol
Exact mass
357.1113 Da
logP
3.81Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
82911-71-5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)ON4C5=CC=CC=C5N=N4
InChIKey
KNSPZTVPSAKHBN-UHFFFAOYSA-N
InChI
InChI=1S/C21H15N3O3/c25-21(27-24-20-12-6-5-11-19(20)22-23-24)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18H,13H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Fmoc-obt

Work with 9-Fluorenylmethyl 1-benzotriazolyl carbonate

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

Bis(hydroxybenzotriazolyl) carbonate88544-01-864 % similar N-(9-Fluorenylmethoxycarbonyloxy)succinimide82911-69-148 % similar 9-Fluorenylmethyl pentafluorophenyl carbonate88744-04-147 % similar Fluorenylmethyloxycarbonyl chloride28920-43-646 % similar 9-Fluorenylmethyl carbamate84418-43-945 % similar 9-Fluorenylmethyl N-hydroxycarbamate190656-01-043 % similar (9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-940 % similar Fmoc-L-phenylglycine102410-65-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook