Home Other Building Blocks TERT-BUTYL 5-(CHLOROSULFONYL)-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE

TERT-BUTYL 5-(CHLOROSULFONYL)-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE

CAS No.:
2090008-28-7
Catalog Number:
AG01DW64
Molecular Formula:
C14H18ClNO4S
Molecular Weight:
331.8150
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Product Description
Catalog Number:
AG01DW64
Chemical Name:
TERT-BUTYL 5-(CHLOROSULFONYL)-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE
CAS Number:
2090008-28-7
Molecular Formula:
C14H18ClNO4S
Molecular Weight:
331.8150
MDL Number:
MFCD28388181
IUPAC Name:
tert-butyl 5-chlorosulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C14H18ClNO4S/c1-14(2,3)20-13(17)16-9-5-6-10-11(16)7-4-8-12(10)21(15,18)19/h4,7-8H,5-6,9H2,1-3H3
InChI Key:
WJTMZJPFQCLNBL-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1cccc2S(=O)(=O)Cl)OC(C)(C)C
Properties
Complexity:
494  
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:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties