Home Halogens 2-chloro-1-(2,3,4,6-tetramethylphenyl)ethan-1-one

2-chloro-1-(2,3,4,6-tetramethylphenyl)ethan-1-one

CAS No.:
790725-78-9
Catalog Number:
AG00ID0A
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
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Product Description
Catalog Number:
AG00ID0A
Chemical Name:
2-chloro-1-(2,3,4,6-tetramethylphenyl)ethan-1-one
CAS Number:
790725-78-9
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
MDL Number:
MFCD06360003
IUPAC Name:
2-chloro-1-(2,3,4,6-tetramethylphenyl)ethanone
InChI:
InChI=1S/C12H15ClO/c1-7-5-8(2)12(11(14)6-13)10(4)9(7)3/h5H,6H2,1-4H3
InChI Key:
YGGRAYOSPKBKGM-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1c(C)cc(c(c1C)C)C
Properties
Complexity:
214  
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:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties