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87893-58-1 | 2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-
CAS No: 87893-58-1 Catalog No: AG004FWY MDL No:
Product Description
Catalog Number:
AG004FWY
Chemical Name:
2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-
CAS Number:
87893-58-1
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
IUPAC Name:
6-chloro-7-hydroxychromen-2-one
InChI:
InChI=1S/C9H5ClO3/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,11H
InChI Key:
CFVSMUGHMLAHRB-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc(c(c2)Cl)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.993g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.586g/mol
Monoisotopic Mass:
195.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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