Home > Compound List > Compound details
1187386-26-0 molecular structure
click picture or here to close

2-bromo-5-chloro-N-methylaniline hydrochloride

ChemBase ID: 796728
Molecular Formular: C7H8BrCl2N
Molecular Mass: 256.95512
Monoisotopic Mass: 254.92171662
SMILES and InChIs

SMILES:
Cl.N(c1c(ccc(c1)Cl)Br)C
Canonical SMILES:
CNc1cc(Cl)ccc1Br.Cl
InChI:
InChI=1S/C7H7BrClN.ClH/c1-10-7-4-5(9)2-3-6(7)8;/h2-4,10H,1H3;1H
InChIKey:
BVAAYGAFEBJYRW-UHFFFAOYSA-N

Cite this record

CBID:796728 http://www.chembase.cn/molecule-796728.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-chloro-N-methylaniline hydrochloride
IUPAC Traditional name
2-bromo-5-chloro-N-methylaniline hydrochloride
Synonyms
2-BroMo-5-chloro-N-Methylaniline hydrochloride
CAS Number
1187386-26-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4087 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4087 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) 2.816301  LogD (pH = 7.4) 2.8187895 
Log P 2.8188212  Molar Refractivity 48.6794 cm3
Polarizability 18.046856 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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