Home > Compound List > Compound details
160538-52-3 molecular structure
click picture or here to close

(3-fluoro-4-nitrophenyl)methanamine

ChemBase ID: 801147
Molecular Formular: C7H7FN2O2
Molecular Mass: 170.1410832
Monoisotopic Mass: 170.04915569
SMILES and InChIs

SMILES:
C(N)c1cc(c(cc1)[N+](=O)[O-])F
Canonical SMILES:
NCc1ccc(c(c1)F)[N+](=O)[O-]
InChI:
InChI=1S/C7H7FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H,4,9H2
InChIKey:
JTOJWHIKGYSSGT-UHFFFAOYSA-N

Cite this record

CBID:801147 http://www.chembase.cn/molecule-801147.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-fluoro-4-nitrophenyl)methanamine
IUPAC Traditional name
(3-fluoro-4-nitrophenyl)methanamine
Synonyms
(3-FLUORO-4-NITROPHENYL)METHANAMINE
CAS Number
160538-52-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17463 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17463 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) -1.7388626  LogD (pH = 7.4) -0.47111517 
Log P 1.1817003  Molar Refractivity 41.0683 cm3
Polarizability 15.317653 Å3 Polar Surface Area 69.16 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

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