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1824645-66-0 | 8-IODO-6-NITRO-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
CAS No: 1824645-66-0 Catalog No: AG01DX3F MDL No:
Product Description
Catalog Number:
AG01DX3F
Chemical Name:
8-IODO-6-NITRO-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
CAS Number:
1824645-66-0
IUPAC Name:
8-iodo-6-nitro-1,4-dihydro-3,1-benzoxazin-2-one
InChI:
InChI=1S/C8H5IN2O4/c9-6-2-5(11(13)14)1-4-3-15-8(12)10-7(4)6/h1-2H,3H2,(H,10,12)
InChI Key:
DPYBMQSMJOAKOK-UHFFFAOYSA-N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.929g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.042g/mol
Monoisotopic Mass:
319.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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