Home Sulfos 2-(2,2-dimethylpropanamido)-4-methoxybenzene-1-sulfonyl chloride

2-(2,2-dimethylpropanamido)-4-methoxybenzene-1-sulfonyl chloride

CAS No.:
1423024-80-9
Catalog Number:
AG01A3AR
Molecular Formula:
C12H16ClNO4S
Molecular Weight:
305.7777
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Product Description
Catalog Number:
AG01A3AR
Chemical Name:
2-(2,2-dimethylpropanamido)-4-methoxybenzene-1-sulfonyl chloride
CAS Number:
1423024-80-9
Molecular Formula:
C12H16ClNO4S
Molecular Weight:
305.7777
MDL Number:
MFCD22628559
IUPAC Name:
2-(2,2-dimethylpropanoylamino)-4-methoxybenzenesulfonyl chloride
InChI:
InChI=1S/C12H16ClNO4S/c1-12(2,3)11(15)14-9-7-8(18-4)5-6-10(9)19(13,16)17/h5-7H,1-4H3,(H,14,15)
InChI Key:
ZPANMRQWSLLKEL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=O)C(C)(C)C)S(=O)(=O)Cl
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.049g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.773g/mol
Monoisotopic Mass:
305.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties