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446273-59-2 molecular structure
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4-bromo-6-chloropyridazin-3-amine

ChemBase ID: 67615
Molecular Formular: C4H3BrClN3
Molecular Mass: 208.44372
Monoisotopic Mass: 206.91988679
SMILES and InChIs

SMILES:
c1(c(cc(nn1)Cl)Br)N
Canonical SMILES:
Clc1nnc(c(c1)Br)N
InChI:
InChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChIKey:
FGOWNGCSUSKHQI-UHFFFAOYSA-N

Cite this record

CBID:67615 http://www.chembase.cn/molecule-67615.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-6-chloropyridazin-3-amine
IUPAC Traditional name
4-bromo-6-chloropyridazin-3-amine
Synonyms
3-Amino-4-bromo-6-chloropyridazine
CAS Number
446273-59-2
MDL Number
MFCD11520891
PubChem SID
162033350
PubChem CID
22024419

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.814276  H Acceptors
H Donor LogD (pH = 5.5) 1.1342471 
LogD (pH = 7.4) 1.1343087  Log P 1.1343095 
Molar Refractivity 42.2672 cm3 Polarizability 14.768424 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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

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PATENTS

PATENTS

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INTERNET

INTERNET

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