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Home Pyridines 1001412-59-4
1001412-59-4,MFCD12402502
Catalog No.:AA0000ZP
1001412-59-4 | 1H-Pyrrolo[2,3-b]pyridine-3-sulfonyl chloride
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  • Technical Information
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Technical Information
Catalog Number:
AA0000ZP
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-sulfonyl chloride
CAS Number:
1001412-59-4
Molecular Formula:
C7H5ClN2O2S
Molecular Weight:
216.6448
MDL Number:
MFCD12402502
IUPAC Name:
1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride
InChI:
InChI=1S/C7H5ClN2O2S/c8-13(11,12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChI Key:
CNZIHLRMHLLIJQ-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1c[nH]c2c1cccn2
Properties
Computed Properties
 
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.976g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.639g/mol
Monoisotopic Mass:
215.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride 
1001412-59-4 
NE62512 
SB14169 
KS-000005S2 
AN-26035 
AS-53550 
DB-058307 
CS-0052497 
FT-0736842 
EN300-51255 
412P594 
AC1Q3VN9 
SCHEMBL15064398 
CTK6H8752 
DTXSID40647175 
MFCD12402502 
AKOS005214176 
ZINC100290173 
MCULE-4516567211 
Literature
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