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1379315-53-3 | 4'-Chloro-3'-ethylbutyrophenone
CAS No: 1379315-53-3 Catalog No: AG01FEWB MDL No:
Product Description
Catalog Number:
AG01FEWB
Chemical Name:
4'-Chloro-3'-ethylbutyrophenone
CAS Number:
1379315-53-3
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
IUPAC Name:
1-(4-chloro-3-ethylphenyl)butan-1-one
InChI:
InChI=1S/C12H15ClO/c1-3-5-12(14)10-6-7-11(13)9(4-2)8-10/h6-8H,3-5H2,1-2H3
InChI Key:
CSWFEKSBPGYONM-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(c(c1)CC)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.701g/mol
Monoisotopic Mass:
210.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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