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609-16-5 molecular structure
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3,4,5-tribromoaniline

ChemBase ID: 813138
Molecular Formular: C6H4Br3N
Molecular Mass: 329.81466
Monoisotopic Mass: 326.78938513
SMILES and InChIs

SMILES:
Nc1cc(c(c(c1)Br)Br)Br
Canonical SMILES:
Nc1cc(Br)c(c(c1)Br)Br
InChI:
InChI=1S/C6H4Br3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChIKey:
FJBYYZKYMWMKRT-UHFFFAOYSA-N

Cite this record

CBID:813138 http://www.chembase.cn/molecule-813138.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4,5-tribromoaniline
IUPAC Traditional name
3,4,5-tribromoaniline
Synonyms
3,4,5-TRIBROMOBENZENAMINE
CAS Number
609-16-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34090 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34090 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4501412  LogD (pH = 7.4) 3.4505723 
Log P 3.4505777  Molar Refractivity 53.6268 cm3
Polarizability 20.560696 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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