Home > Compound List > Compound details
1225823-06-2 molecular structure
click picture or here to close

3-(4-bromophenyl)morpholine

ChemBase ID: 801192
Molecular Formular: C10H12BrNO
Molecular Mass: 242.11238
Monoisotopic Mass: 241.01022601
SMILES and InChIs

SMILES:
C1(COCCN1)c1ccc(cc1)Br
Canonical SMILES:
Brc1ccc(cc1)C1NCCOC1
InChI:
InChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2
InChIKey:
FXQWZIVIJAEZCN-UHFFFAOYSA-N

Cite this record

CBID:801192 http://www.chembase.cn/molecule-801192.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-bromophenyl)morpholine
IUPAC Traditional name
3-(4-bromophenyl)morpholine
Synonyms
3-(4-BROMOPHENYL)MORPHOLINE
CAS Number
1225823-06-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17517 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17517 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) -0.082542054  LogD (pH = 7.4) 1.6211325 
Log P 2.141614  Molar Refractivity 55.6735 cm3
Polarizability 21.937044 Å3 Polar Surface Area 21.26 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