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Home > Pyridines > 1001412-59-4
1001412-59-4 | 1H-Pyrrolo[2,3-b]pyridine-3-sulfonyl chloride
CAS No: 1001412-59-4 Catalog No: AG00012H MDL No:MFCD12402502
Product Description
Catalog Number:
AG00012H
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
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
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