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1003709-07-6 | 1H-Inden-1-one, 4-chloro-2,3-dihydro-2-propyl-
CAS No: 1003709-07-6 Catalog No: AG0001S6 MDL No:MFCD09835215
Product Description
Catalog Number:
AG0001S6
Chemical Name:
1H-Inden-1-one, 4-chloro-2,3-dihydro-2-propyl-
CAS Number:
1003709-07-6
Molecular Formula:
C12H13ClO
Molecular Weight:
208.6840
MDL Number:
MFCD09835215
IUPAC Name:
4-chloro-2-propyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H13ClO/c1-2-4-8-7-10-9(12(8)14)5-3-6-11(10)13/h3,5-6,8H,2,4,7H2,1H3
InChI Key:
MWPGRGMXCOKIHD-UHFFFAOYSA-N
SMILES:
CCCC1Cc2c(C1=O)cccc2Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.685g/mol
Monoisotopic Mass:
208.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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