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39878-43-8 | 2-Chloro-1-(3,5-dihydroxyphenyl)ethanone
CAS No: 39878-43-8 Catalog No: AG01FNR3 MDL No:
Product Description
Catalog Number:
AG01FNR3
Chemical Name:
2-Chloro-1-(3,5-dihydroxyphenyl)ethanone
CAS Number:
39878-43-8
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
IUPAC Name:
2-chloro-1-(3,5-dihydroxyphenyl)ethanone
InChI:
InChI=1S/C8H7ClO3/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3,10-11H,4H2
InChI Key:
ASZDQGFVJIMRRQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(O)cc(c1)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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