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207110-35-8 molecular structure
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3-bromo-5-fluoro-4-methylaniline

ChemBase ID: 180095
Molecular Formular: C7H7BrFN
Molecular Mass: 204.0395832
Monoisotopic Mass: 202.97458945
SMILES and InChIs

SMILES:
Nc1cc(c(c(c1)F)C)Br
Canonical SMILES:
Nc1cc(F)c(c(c1)Br)C
InChI:
InChI=1S/C7H7BrFN/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
InChIKey:
PYSVBVGSPMLRRH-UHFFFAOYSA-N

Cite this record

CBID:180095 http://www.chembase.cn/molecule-180095.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-fluoro-4-methylaniline
IUPAC Traditional name
3-bromo-5-fluoro-4-methylaniline
Synonyms
3-Bromo-5-fluoro-4-methylaniline
CAS Number
207110-35-8
PubChem SID
164236005
PubChem CID
53484256

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
CHB80721 external link Add to cart Please log in.
Data Source Data ID
PubChem 53484256 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5675197  LogD (pH = 7.4) 2.5691748 
Log P 2.5691957  Molar Refractivity 43.6388 cm3
Polarizability 15.847522 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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