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Home > Fluorides > 309286-94-0
309286-94-0 | 4H-1-Benzopyran-4-one, 6-nitro-2-(trifluoromethyl)-
CAS No: 309286-94-0 Catalog No: AG0031OZ MDL No:
Product Description
Catalog Number:
AG0031OZ
Chemical Name:
4H-1-Benzopyran-4-one, 6-nitro-2-(trifluoromethyl)-
CAS Number:
309286-94-0
Molecular Formula:
C10H4F3NO4
Molecular Weight:
259.1383
IUPAC Name:
6-nitro-2-(trifluoromethyl)chromen-4-one
InChI:
InChI=1S/C10H4F3NO4/c11-10(12,13)9-4-7(15)6-3-5(14(16)17)1-2-8(6)18-9/h1-4H
InChI Key:
NQHAMVUYZRUQKS-UHFFFAOYSA-N
SMILES:
O=c1cc(oc2c1cc(cc2)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.009g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.14g/mol
Monoisotopic Mass:
259.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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