Home > Compound List > Compound details
56962-00-6 molecular structure
click picture or here to close

2-amino-3-chlorophenol

ChemBase ID: 70710
Molecular Formular: C6H6ClNO
Molecular Mass: 143.57094
Monoisotopic Mass: 143.0137915
SMILES and InChIs

SMILES:
c1(c(c(ccc1)Cl)N)O
Canonical SMILES:
Nc1c(O)cccc1Cl
InChI:
InChI=1S/C6H6ClNO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
InChIKey:
JSHJJLQJRLNBBA-UHFFFAOYSA-N

Cite this record

CBID:70710 http://www.chembase.cn/molecule-70710.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-chlorophenol
IUPAC Traditional name
2-amino-3-chlorophenol
Synonyms
2-Amino-3-chlorophenol
CAS Number
56962-00-6
MDL Number
MFCD11848418
PubChem SID
162036423
PubChem CID
19828962

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4435332  LogD (pH = 7.4) 1.4423558 
Log P 1.4447992  Molar Refractivity 37.5441 cm3
Polarizability 13.969632 Å3 Polar Surface Area 46.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 9.650498 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% 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