Home Sulfos 3-phenylprop-2-yne-1-sulfonyl chloride

3-phenylprop-2-yne-1-sulfonyl chloride

CAS No.:
2138423-35-3
Catalog Number:
AG01EIWW
Molecular Formula:
C9H7ClO2S
Molecular Weight:
214.6687
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Product Description
Catalog Number:
AG01EIWW
Chemical Name:
3-phenylprop-2-yne-1-sulfonyl chloride
CAS Number:
2138423-35-3
Molecular Formula:
C9H7ClO2S
Molecular Weight:
214.6687
MDL Number:
MFCD31431450
IUPAC Name:
3-phenylprop-2-yne-1-sulfonyl chloride
InChI:
InChI=1S/C9H7ClO2S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2
InChI Key:
LUECDVVATRNOHR-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)CC#Cc1ccccc1
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.986g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.663g/mol
Monoisotopic Mass:
213.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties