Home Other Building Blocks 2-Chloro-1-(4-hydroxyphenyl)ethanone

2-Chloro-1-(4-hydroxyphenyl)ethanone

CAS No.:
6305-04-0
Catalog Number:
AG003GU7
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
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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
Properties