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6305-04-0 | 2-Chloro-1-(4-hydroxyphenyl);ethanone
CAS No: 6305-04-0 Catalog No: AG003GU7 MDL No:MFCD00229893
Product Description
Catalog Number:
AG003GU7
Chemical Name:
2-Chloro-1-(4-hydroxyphenyl);ethanone
CAS Number:
6305-04-0
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00229893
IUPAC Name:
2-chloro-1-(4-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H7ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
InChI Key:
PPPIAEPDQPCIIM-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1)O
EC Number:
228-613-0
NSC Number:
41671
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| E-[4-(β-d-Allopyranos-yloxy)phen-yl]-1-(4-chloro-phen-yl)prop-2-enone ethanol solvate. | Acta crystallographica. Section E, Structure reports online 20090301 |
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