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Home Nitros 8-Chloromethyl-6-nitro-4h-benzo[1,3]dioxine

8-Chloromethyl-6-nitro-4h-benzo[1,3]dioxine

CAS No.:
99849-17-9
Catalog Number:
AG003W73
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003W73
Chemical Name:
8-Chloromethyl-6-nitro-4h-benzo[1,3]dioxine
CAS Number:
99849-17-9
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD00173700
IUPAC Name:
8-(chloromethyl)-6-nitro-4H-1,3-benzodioxine
InChI:
InChI=1S/C9H8ClNO4/c10-3-6-1-8(11(12)13)2-7-4-14-5-15-9(6)7/h1-2H,3-5H2
InChI Key:
PSVFVAYNOKLOMR-UHFFFAOYSA-N
SMILES:
ClCc1cc(cc2c1OCOC2)[N+](=O)[O-]
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties