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88353-30-4 | 2H-1-Benzopyran-2-one, 4-iodo-3-nitro-
CAS No: 88353-30-4 Catalog No: AG0045SD MDL No:
Product Description
Catalog Number:
AG0045SD
Chemical Name:
2H-1-Benzopyran-2-one, 4-iodo-3-nitro-
CAS Number:
88353-30-4
Molecular Formula:
C9H4INO4
Molecular Weight:
317.0368
IUPAC Name:
4-iodo-3-nitrochromen-2-one
InChI:
InChI=1S/C9H4INO4/c10-7-5-3-1-2-4-6(5)15-9(12)8(7)11(13)14/h1-4H
InChI Key:
RSTAUSKNPWVWSB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(=O)oc2c(c1I)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.919g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.038g/mol
Monoisotopic Mass:
316.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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