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51275-91-3 molecular structure
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1-azido-3-chloropropan-2-ol

ChemBase ID: 160988
Molecular Formular: C3H6ClN3O
Molecular Mass: 135.55224
Monoisotopic Mass: 135.01993951
SMILES and InChIs

SMILES:
C(C(CCl)O)N=[N+]=[N-]
Canonical SMILES:
[N-]=[N+]=NCC(CCl)O
InChI:
InChI=1S/C3H6ClN3O/c4-1-3(8)2-6-7-5/h3,8H,1-2H2
InChIKey:
DTXBDTUEXOVFTN-UHFFFAOYSA-N

Cite this record

CBID:160988 http://www.chembase.cn/molecule-160988.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-azido-3-chloropropan-2-ol
IUPAC Traditional name
1-azido-3-chloropropan-2-ol
Synonyms
3-Chloro-1-azidoisopropanol
3-Chloro-2-hydroxypropyl Azide
1-Azido-3-chloro-2-propanol, Technical Grade
CAS Number
51275-91-3
PubChem SID
162255123
PubChem CID
10975530

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A822850 external link Add to cart
PubChem 10975530 external link
Data Source Data ID Price
TRC
A822850 external link Add to cart Please log in.
Data Source Data ID
PubChem 10975530 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.804473  H Acceptors
H Donor LogD (pH = 5.5) 0.22187662 
LogD (pH = 7.4) 0.22187644  Log P 0.33592227 
Molar Refractivity 29.8596 cm3 Polarizability 11.160077 Å3
Polar Surface Area 49.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Clear Colorless Oil expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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