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1203686-38-7 molecular structure
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3-(2-bromophenyl)pyrrolidine

ChemBase ID: 799004
Molecular Formular: C10H12BrN
Molecular Mass: 226.11298
Monoisotopic Mass: 225.01531139
SMILES and InChIs

SMILES:
N1CC(CC1)c1c(cccc1)Br
Canonical SMILES:
Brc1ccccc1C1CNCC1
InChI:
InChI=1S/C10H12BrN/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-4,8,12H,5-7H2
InChIKey:
UDPMAKWIVUVLMO-UHFFFAOYSA-N

Cite this record

CBID:799004 http://www.chembase.cn/molecule-799004.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-bromophenyl)pyrrolidine
IUPAC Traditional name
3-(2-bromophenyl)pyrrolidine
Synonyms
3-(2-bromophenyl)pyrrolidine
CAS Number
1203686-38-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13171 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13171 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) -0.75835276  LogD (pH = 7.4) -0.5599045 
Log P 2.4804485  Molar Refractivity 54.4238 cm3
Polarizability 21.124014 Å3 Polar Surface Area 12.03 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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