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1003708-98-2 | 1H-Inden-1-one, 4-chloro-2-ethyl-2,3-dihydro-
CAS No: 1003708-98-2 Catalog No: AG0001S7 MDL No:MFCD09835214
Product Description
Catalog Number:
AG0001S7
Chemical Name:
1H-Inden-1-one, 4-chloro-2-ethyl-2,3-dihydro-
CAS Number:
1003708-98-2
Molecular Formula:
C11H11ClO
Molecular Weight:
194.6574
MDL Number:
MFCD09835214
IUPAC Name:
4-chloro-2-ethyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H11ClO/c1-2-7-6-9-8(11(7)13)4-3-5-10(9)12/h3-5,7H,2,6H2,1H3
InChI Key:
OPERDSLFDLFRBS-UHFFFAOYSA-N
SMILES:
CCC1Cc2c(C1=O)cccc2Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.658g/mol
Monoisotopic Mass:
194.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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