Home Other Building Blocks 4-Chloro-1-(4-methoxyphenyl)butan-1-one

4-Chloro-1-(4-methoxyphenyl)butan-1-one

CAS No.:
40877-19-8
Catalog Number:
AG003L5H
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
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Product Description
Catalog Number:
AG003L5H
Chemical Name:
4-Chloro-1-(4-methoxyphenyl)butan-1-one
CAS Number:
40877-19-8
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD00018995
IUPAC Name:
4-chloro-1-(4-methoxyphenyl)butan-1-one
InChI:
InChI=1S/C11H13ClO2/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7H,2-3,8H2,1H3
InChI Key:
NGBTWDPPZFGUAY-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)c1ccc(cc1)OC
EC Number:
255-125-5
NSC Number:
73121
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties