Home Sulfos 1-phenylbutane-2-sulfonyl chloride

1-phenylbutane-2-sulfonyl chloride

CAS No.:
1553396-48-7
Catalog Number:
AG01EIUA
Molecular Formula:
C10H13ClO2S
Molecular Weight:
232.7270
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Product Description
Catalog Number:
AG01EIUA
Chemical Name:
1-phenylbutane-2-sulfonyl chloride
CAS Number:
1553396-48-7
Molecular Formula:
C10H13ClO2S
Molecular Weight:
232.7270
MDL Number:
MFCD23726211
IUPAC Name:
1-phenylbutane-2-sulfonyl chloride
InChI:
InChI=1S/C10H13ClO2S/c1-2-10(14(11,12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChI Key:
LRAUICFQVYMASO-UHFFFAOYSA-N
SMILES:
CCC(S(=O)(=O)Cl)Cc1ccccc1
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.722g/mol
Monoisotopic Mass:
232.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties