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114932-74-0 | 2,4,6-Cycloheptatrien-1-one, 4,6-bis(chloromethyl)-2,5-dimethoxy-
CAS No: 114932-74-0 Catalog No: AG000FGJ MDL No:
Product Description
Catalog Number:
AG000FGJ
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 4,6-bis(chloromethyl)-2,5-dimethoxy-
CAS Number:
114932-74-0
Molecular Formula:
C11H12Cl2O3
Molecular Weight:
263.1172
IUPAC Name:
4,6-bis(chloromethyl)-2,5-dimethoxycyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C11H12Cl2O3/c1-15-10-4-8(6-13)11(16-2)7(5-12)3-9(10)14/h3-4H,5-6H2,1-2H3
InChI Key:
FXGDKIXACHRQHF-UHFFFAOYSA-N
SMILES:
COc1c(CCl)cc(c(=O)cc1CCl)OC
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.114g/mol
Monoisotopic Mass:
262.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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