Home Sulfos 2,5-bis(propan-2-yl)benzene-1-sulfonyl chloride

2,5-bis(propan-2-yl)benzene-1-sulfonyl chloride

CAS No.:
61942-72-1
Catalog Number:
AG01EIVY
Molecular Formula:
C12H17ClO2S
Molecular Weight:
260.7802
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Product Description
Catalog Number:
AG01EIVY
Chemical Name:
2,5-bis(propan-2-yl)benzene-1-sulfonyl chloride
CAS Number:
61942-72-1
Molecular Formula:
C12H17ClO2S
Molecular Weight:
260.7802
MDL Number:
MFCD29087685
IUPAC Name:
2,5-di(propan-2-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C12H17ClO2S/c1-8(2)10-5-6-11(9(3)4)12(7-10)16(13,14)15/h5-9H,1-4H3
InChI Key:
OUZQFXRSNCKYFE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)S(=O)(=O)Cl)C(C)C)C
NSC Number:
8536
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.776g/mol
Monoisotopic Mass:
260.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties