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13099-73-5 | 1H-Inden-1-one, 6-chloro-2,3-dihydro-2,2-dimethyl-
CAS No: 13099-73-5 Catalog No: AG000V8N MDL No:MFCD11219440
Product Description
Catalog Number:
AG000V8N
Chemical Name:
1H-Inden-1-one, 6-chloro-2,3-dihydro-2,2-dimethyl-
CAS Number:
13099-73-5
Molecular Formula:
C11H11ClO
Molecular Weight:
194.6574
MDL Number:
MFCD11219440
IUPAC Name:
6-chloro-2,2-dimethyl-3H-inden-1-one
InChI:
InChI=1S/C11H11ClO/c1-11(2)6-7-3-4-8(12)5-9(7)10(11)13/h3-5H,6H2,1-2H3
InChI Key:
XFZYJZIKQGZVES-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)C(C2)(C)C
Properties
Complexity:
234
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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