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34911-25-6 | 7-Chloro-1-indanone
CAS No: 34911-25-6 Catalog No: AG0038T1 MDL No:MFCD06796576
Product Description
Catalog Number:
AG0038T1
Chemical Name:
7-Chloro-1-indanone
CAS Number:
34911-25-6
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD06796576
IUPAC Name:
7-chloro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7ClO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChI Key:
YNFZQNGHYQYLCF-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1c(Cl)ccc2
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:
2.3
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