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60811-17-8 molecular structure
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5-bromo-2-chloroaniline

ChemBase ID: 18102
Molecular Formular: C6H5BrClN
Molecular Mass: 206.4676
Monoisotopic Mass: 204.92938885
SMILES and InChIs

SMILES:
Nc1c(ccc(c1)Br)Cl
Canonical SMILES:
Brc1ccc(c(c1)N)Cl
InChI:
InChI=1S/C6H5BrClN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey:
UGOLEPGQWYPIBR-UHFFFAOYSA-N

Cite this record

CBID:18102 http://www.chembase.cn/molecule-18102.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-chloroaniline
IUPAC Traditional name
5-bromo-2-chloroaniline
Synonyms
5-Bromo-2-chloroaniline
2-Chloro-5-bromoaniline
5-bromo-2-chlorophenylamine
CAS Number
60811-17-8
MDL Number
MFCD06796283
PubChem SID
160981409
PubChem CID
3830731

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5169654  LogD (pH = 7.4) 2.5171154 
Log P 2.5171173  Molar Refractivity 43.186 cm3
Polarizability 16.242746 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
48-49°C expand Show data source
Hydrophobicity(logP)
2.797 expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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