Home Halogens 1-[3-(2-chloroethyl)-4-hydroxyphenyl]ethan-1-one

1-[3-(2-chloroethyl)-4-hydroxyphenyl]ethan-1-one

CAS No.:
1354950-68-7
Catalog Number:
AG019SXH
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
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Product Description
Catalog Number:
AG019SXH
Chemical Name:
1-[3-(2-chloroethyl)-4-hydroxyphenyl]ethan-1-one
CAS Number:
1354950-68-7
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD20731159
IUPAC Name:
1-[3-(2-chloroethyl)-4-hydroxyphenyl]ethanone
InChI:
InChI=1S/C10H11ClO2/c1-7(12)8-2-3-10(13)9(6-8)4-5-11/h2-3,6,13H,4-5H2,1H3
InChI Key:
HNOCBJJXTMURPB-UHFFFAOYSA-N
SMILES:
ClCCc1cc(ccc1O)C(=O)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties