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200814-22-8 | 2H-1-Benzopyran, 6-iodo-2,2-dimethyl-5-nitro-
CAS No: 200814-22-8 Catalog No: AG002D1G MDL No:
Product Description
Catalog Number:
AG002D1G
Chemical Name:
2H-1-Benzopyran, 6-iodo-2,2-dimethyl-5-nitro-
CAS Number:
200814-22-8
Molecular Formula:
C11H10INO3
Molecular Weight:
331.1065
IUPAC Name:
6-iodo-2,2-dimethyl-5-nitrochromene
InChI:
InChI=1S/C11H10INO3/c1-11(2)6-5-7-9(16-11)4-3-8(12)10(7)13(14)15/h3-6H,1-2H3
InChI Key:
BUIMTKJLGZOIJB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(I)ccc2c1C=CC(O2)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.109g/mol
Monoisotopic Mass:
330.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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