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57807-28-0 molecular structure
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1-bromo-2-cyclopropylbenzene

ChemBase ID: 799414
Molecular Formular: C9H9Br
Molecular Mass: 197.07176
Monoisotopic Mass: 195.98876229
SMILES and InChIs

SMILES:
c1(c(cccc1)C1CC1)Br
Canonical SMILES:
Brc1ccccc1C1CC1
InChI:
InChI=1S/C9H9Br/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2
InChIKey:
DTUGHJZKCKSVEO-UHFFFAOYSA-N

Cite this record

CBID:799414 http://www.chembase.cn/molecule-799414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-2-cyclopropylbenzene
IUPAC Traditional name
1-bromo-2-cyclopropylbenzene
Synonyms
1-Bromo-2-cyclopropylbenzene
CAS Number
57807-28-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13991 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13991 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) 3.5232816  LogD (pH = 7.4) 3.5232816 
Log P 3.5232816  Molar Refractivity 46.0694 cm3
Polarizability 17.770811 Å3 Polar Surface Area 0.0 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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