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1003708-90-4 | 1H-Inden-1-one, 2-butyl-4-chloro-2,3-dihydro-
CAS No: 1003708-90-4 Catalog No: AG0001S8 MDL No:MFCD09835213
Product Description
Catalog Number:
AG0001S8
Chemical Name:
1H-Inden-1-one, 2-butyl-4-chloro-2,3-dihydro-
CAS Number:
1003708-90-4
Molecular Formula:
C13H15ClO
Molecular Weight:
222.7106
MDL Number:
MFCD09835213
IUPAC Name:
2-butyl-4-chloro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C13H15ClO/c1-2-3-5-9-8-11-10(13(9)15)6-4-7-12(11)14/h4,6-7,9H,2-3,5,8H2,1H3
InChI Key:
IAKJNMKJJGEDNJ-UHFFFAOYSA-N
SMILES:
CCCCC1Cc2c(C1=O)cccc2Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.712g/mol
Monoisotopic Mass:
222.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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