Home Sulfos tert-butyl 4-[(chlorosulfonyl)methyl]azepane-1-carboxylate

tert-butyl 4-[(chlorosulfonyl)methyl]azepane-1-carboxylate

CAS No.:
1955547-38-2
Catalog Number:
AG01B56V
Molecular Formula:
C12H22ClNO4S
Molecular Weight:
311.8254
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Product Description
Catalog Number:
AG01B56V
Chemical Name:
tert-butyl 4-[(chlorosulfonyl)methyl]azepane-1-carboxylate
CAS Number:
1955547-38-2
Molecular Formula:
C12H22ClNO4S
Molecular Weight:
311.8254
MDL Number:
MFCD30181013
IUPAC Name:
tert-butyl 4-(chlorosulfonylmethyl)azepane-1-carboxylate
InChI:
InChI=1S/C12H22ClNO4S/c1-12(2,3)18-11(15)14-7-4-5-10(6-8-14)9-19(13,16)17/h10H,4-9H2,1-3H3
InChI Key:
WILWNVQOKSGXME-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(CC1)CS(=O)(=O)Cl)OC(C)(C)C
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.096g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.821g/mol
Monoisotopic Mass:
311.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties