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60144-53-8 molecular structure
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tert-butyl N-(4-fluorophenyl)carbamate

ChemBase ID: 100753
Molecular Formular: C11H14FNO2
Molecular Mass: 211.2327632
Monoisotopic Mass: 211.10085691
SMILES and InChIs

SMILES:
N(c1ccc(cc1)F)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(Nc1ccc(cc1)F)OC(C)(C)C
InChI:
InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKey:
OJVWNENFSPSLRB-UHFFFAOYSA-N

Cite this record

CBID:100753 http://www.chembase.cn/molecule-100753.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(4-fluorophenyl)carbamate
IUPAC Traditional name
tert-butyl N-(4-fluorophenyl)carbamate
Synonyms
tert-Butyl (4-fluorophenyl)carbamate
N-(tert-Butoxycarbonyl)-4-fluoroaniline
4-Fluoroaniline, N-BOC protected 97%
CAS Number
60144-53-8
MDL Number
MFCD07127707
PubChem SID
162087806
PubChem CID
4935450

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 4935450 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.14758  H Acceptors
H Donor LogD (pH = 5.5) 3.0269089 
LogD (pH = 7.4) 3.0269082  Log P 3.0269089 
Molar Refractivity 56.5666 cm3 Polarizability 21.115646 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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