Home Other Building Blocks 1-(3-Chlorophenyl)butan-2-one

1-(3-Chlorophenyl)butan-2-one

CAS No.:
1181404-78-3
Catalog Number:
AG01DU8N
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
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Product Description
Catalog Number:
AG01DU8N
Chemical Name:
1-(3-Chlorophenyl)butan-2-one
CAS Number:
1181404-78-3
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
MDL Number:
MFCD11934981
IUPAC Name:
1-(3-chlorophenyl)butan-2-one
InChI:
InChI=1S/C10H11ClO/c1-2-10(12)7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3
InChI Key:
WXZRRRDXXMEZSO-UHFFFAOYSA-N
SMILES:
CCC(=O)Cc1cccc(c1)Cl
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.05g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.647g/mol
Monoisotopic Mass:
182.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties