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74298-66-1 | 4-CHLORO-1-(3,4-DIMETHYLPHENYL)-1-BUTANONE
CAS No: 74298-66-1 Catalog No: AG005CG2 MDL No:
Product Description
Catalog Number:
AG005CG2
Chemical Name:
4-CHLORO-1-(3,4-DIMETHYLPHENYL)-1-BUTANONE
CAS Number:
74298-66-1
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
IUPAC Name:
4-chloro-1-(3,4-dimethylphenyl)butan-1-one
InChI:
InChI=1S/C12H15ClO/c1-9-5-6-11(8-10(9)2)12(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
UMVFZGUNLWQTHV-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)c1ccc(c(c1)C)C
EC Number:
277-806-6
NSC Number:
163132
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:
3.2
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