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16722-38-6 | 4H-1-Benzopyran-2-carboxylic acid, 6,8-dichloro-4-oxo-
CAS No: 16722-38-6 Catalog No: AG001X8C MDL No:MFCD01416671
Product Description
Catalog Number:
AG001X8C
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 6,8-dichloro-4-oxo-
CAS Number:
16722-38-6
Molecular Formula:
C10H4Cl2O4
Molecular Weight:
259.0424
MDL Number:
MFCD01416671
IUPAC Name:
6,8-dichloro-4-oxochromene-2-carboxylic acid
InChI:
InChI=1S/C10H4Cl2O4/c11-4-1-5-7(13)3-8(10(14)15)16-9(5)6(12)2-4/h1-3H,(H,14,15)
InChI Key:
FSTRRPXNRFANIZ-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)c(=O)cc(o2)C(=O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.949g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.038g/mol
Monoisotopic Mass:
257.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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