Home > Compound List > Compound details
1357942-79-0 molecular structure
click picture or here to close

4-amino-2-fluoro-5-methylbenzonitrile

ChemBase ID: 291374
Molecular Formular: C8H7FN2
Molecular Mass: 150.1529832
Monoisotopic Mass: 150.05932645
SMILES and InChIs

SMILES:
N#Cc1cc(C)c(N)cc1F
Canonical SMILES:
N#Cc1cc(C)c(cc1F)N
InChI:
InChI=1S/C8H7FN2/c1-5-2-6(4-10)7(9)3-8(5)11/h2-3H,11H2,1H3
InChIKey:
STKTWKBZHAFRNZ-UHFFFAOYSA-N

Cite this record

CBID:291374 http://www.chembase.cn/molecule-291374.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-2-fluoro-5-methylbenzonitrile
IUPAC Traditional name
4-amino-2-fluoro-5-methylbenzonitrile
Synonyms
4-Amino-2-fluoro-5-methylbenzonitrile
CAS Number
1357942-79-0
MDL Number
MFCD15529743
PubChem SID
180676905
PubChem CID
14621073

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231166 Please log in.
Data Source Data ID
PubChem 14621073 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6565342  LogD (pH = 7.4) 1.6565393 
Log P 1.6565393  Molar Refractivity 41.7376 cm3
Polarizability 14.741517 Å3 Polar Surface Area 49.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle