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88952-40-3 | 1,3-Propanedione, 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)-
CAS No: 88952-40-3 Catalog No: AG00486N MDL No:
Product Description
Catalog Number:
AG00486N
Chemical Name:
1,3-Propanedione, 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)-
CAS Number:
88952-40-3
Molecular Formula:
C16H13ClO3
Molecular Weight:
288.7256
IUPAC Name:
1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)propane-1,3-dione
InChI:
InChI=1S/C16H13ClO3/c1-10-4-2-3-5-12(10)15(19)9-16(20)13-8-11(17)6-7-14(13)18/h2-8,18H,9H2,1H3
InChI Key:
WDPSILGFVFUKMA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)CC(=O)c1ccccc1C)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.727g/mol
Monoisotopic Mass:
288.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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