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74444-81-8 | 2H-Inden-2-one,5-chloro-1,3-dihydro-
CAS No: 74444-81-8 Catalog No: AG0036OZ MDL No:MFCD09744099
Product Description
Catalog Number:
AG0036OZ
Chemical Name:
2H-Inden-2-one,5-chloro-1,3-dihydro-
CAS Number:
74444-81-8
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD09744099
IUPAC Name:
5-chloro-1,3-dihydroinden-2-one
InChI:
InChI=1S/C9H7ClO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2
InChI Key:
MMMPPHUZDOMQDG-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(C1)cc(cc2)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.604g/mol
Monoisotopic Mass:
166.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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