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639520-70-0 molecular structure
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tert-butyl N-(4-bromophenyl)-N-methylcarbamate

ChemBase ID: 309309
Molecular Formular: C12H16BrNO2
Molecular Mass: 286.16494
Monoisotopic Mass: 285.03644076
SMILES and InChIs

SMILES:
C(=O)(N(c1ccc(cc1)Br)C)OC(C)(C)C
Canonical SMILES:
CN(c1ccc(cc1)Br)C(=O)OC(C)(C)C
InChI:
InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14(4)10-7-5-9(13)6-8-10/h5-8H,1-4H3
InChIKey:
MUCSVQRHNPYUIE-UHFFFAOYSA-N

Cite this record

CBID:309309 http://www.chembase.cn/molecule-309309.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(4-bromophenyl)-N-methylcarbamate
IUPAC Traditional name
tert-butyl N-(4-bromophenyl)-N-methylcarbamate
Synonyms
tert-butyl (4-bromophenyl)methylcarbamate
CAS Number
639520-70-0
MDL Number
MFCD12913712

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4040032 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5170255  LogD (pH = 7.4) 3.5170257 
Log P 3.5170257  Molar Refractivity 67.0889 cm3
Polarizability 26.056978 Å3 Polar Surface Area 29.54 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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