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892500-91-3 | 4H-1-Benzopyran-4-one, 3-iodo-6-nitro-
CAS No: 892500-91-3 Catalog No: AG0043RR MDL No:
Product Description
Catalog Number:
AG0043RR
Chemical Name:
4H-1-Benzopyran-4-one, 3-iodo-6-nitro-
CAS Number:
892500-91-3
Molecular Formula:
C9H4INO4
Molecular Weight:
317.0368
IUPAC Name:
3-iodo-6-nitrochromen-4-one
InChI:
InChI=1S/C9H4INO4/c10-7-4-15-8-2-1-5(11(13)14)3-6(8)9(7)12/h1-4H
InChI Key:
XTMRMQUZAQGEGN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)c(co2)I
Properties
Complexity:
336
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
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