Home Sulfos Benzyl 3-[(chlorosulfonyl)methyl]piperidine-1-carboxylate

Benzyl 3-[(chlorosulfonyl)methyl]piperidine-1-carboxylate

CAS No.:
242459-83-2
Catalog Number:
AG00I4NX
Molecular Formula:
C14H18ClNO4S
Molecular Weight:
331.8150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$339
- +
1g
95%
1 week
United States
$791
- +
Product Description
Catalog Number:
AG00I4NX
Chemical Name:
Benzyl 3-[(chlorosulfonyl)methyl]piperidine-1-carboxylate
CAS Number:
242459-83-2
Molecular Formula:
C14H18ClNO4S
Molecular Weight:
331.8150
MDL Number:
MFCD18089431
IUPAC Name:
benzyl 3-(chlorosulfonylmethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H18ClNO4S/c15-21(18,19)11-13-7-4-8-16(9-13)14(17)20-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChI Key:
SGQMTLDEQPNJLD-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)CS(=O)(=O)Cl)OCc1ccccc1
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.065g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.811g/mol
Monoisotopic Mass:
331.065g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties