Home Sulfos tert-butyl 7-(chlorosulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate

tert-butyl 7-(chlorosulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate

CAS No.:
1955540-74-5
Catalog Number:
AG01B6AP
Molecular Formula:
C13H16ClNO5S
Molecular Weight:
333.7878
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B6AP
Chemical Name:
tert-butyl 7-(chlorosulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate
CAS Number:
1955540-74-5
Molecular Formula:
C13H16ClNO5S
Molecular Weight:
333.7878
MDL Number:
MFCD28388195
IUPAC Name:
tert-butyl 7-chlorosulfonyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate
InChI:
InChI=1S/C13H16ClNO5S/c1-13(2,3)20-12(16)15-6-7-19-11-8-9(21(14,17)18)4-5-10(11)15/h4-5,8H,6-7H2,1-3H3
InChI Key:
LHPRGZUITFAKOY-UHFFFAOYSA-N
SMILES:
O=C(N1CCOc2c1ccc(c2)S(=O)(=O)Cl)OC(C)(C)C
Properties
Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.044g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.783g/mol
Monoisotopic Mass:
333.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties