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90920-19-7 | 2,4,5-trimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
CAS No: 90920-19-7 Catalog No: AG006GFI MDL No:MFCD00089982
Product Description
Catalog Number:
AG006GFI
Chemical Name:
2,4,5-trimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
CAS Number:
90920-19-7
Molecular Formula:
C10H11Cl3O
Molecular Weight:
253.5527
MDL Number:
MFCD00089982
IUPAC Name:
2,4,5-trimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C10H11Cl3O/c1-6-5-9(3,10(11,12)13)7(2)4-8(6)14/h4-5H,1-3H3
InChI Key:
ACUGWBQJVJTCAG-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C(=CC1=O)C)C(Cl)(Cl)Cl
NSC Number:
85871
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.988g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.547g/mol
Monoisotopic Mass:
251.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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