Home > Compound List > Compound details
946122-05-0 molecular structure
click picture or here to close

(2-amino-4-bromophenyl)methanol

ChemBase ID: 807655
Molecular Formular: C7H8BrNO
Molecular Mass: 202.04852
Monoisotopic Mass: 200.97892588
SMILES and InChIs

SMILES:
C(O)c1c(cc(cc1)Br)N
Canonical SMILES:
OCc1ccc(cc1N)Br
InChI:
InChI=1S/C7H8BrNO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4,9H2
InChIKey:
JHLFDAZFHWATIS-UHFFFAOYSA-N

Cite this record

CBID:807655 http://www.chembase.cn/molecule-807655.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-amino-4-bromophenyl)methanol
IUPAC Traditional name
(2-amino-4-bromophenyl)methanol
Synonyms
(2-AMINO-4-BROMOPHENYL)METHANOL
CAS Number
946122-05-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25776 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25776 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.943162  H Acceptors
H Donor LogD (pH = 5.5) 1.1451002 
LogD (pH = 7.4) 1.1457149  Log P 1.1457227 
Molar Refractivity 45.1971 cm3 Polarizability 16.770391 Å3
Polar Surface Area 46.25 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