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Home Sulfos 3-Oxo-3,4-dihydro-2h-1,4-benzoxazine-6-sulfonyl chloride

3-Oxo-3,4-dihydro-2h-1,4-benzoxazine-6-sulfonyl chloride

CAS No.:
31794-45-3
Catalog Number:
AG007IFU
Molecular Formula:
C8H6ClNO4S
Molecular Weight:
247.6555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$119
- +
5g
95%
In Stock USA
United States
$444
- +
10g
96%
In Stock USA
United States
$769
- +
25g
96%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG007IFU
Chemical Name:
3-Oxo-3,4-dihydro-2h-1,4-benzoxazine-6-sulfonyl chloride
CAS Number:
31794-45-3
Molecular Formula:
C8H6ClNO4S
Molecular Weight:
247.6555
MDL Number:
MFCD05664887
IUPAC Name:
3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO4S/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11)
InChI Key:
CGTCULUUVYBAPX-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.971g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.649g/mol
Monoisotopic Mass:
246.971g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties