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14548-38-0 | 1H-Inden-1-one, 6-chloro-2,3-dihydro-
CAS No: 14548-38-0 Catalog No: AG001D31 MDL No:MFCD00956388
Product Description
Catalog Number:
AG001D31
Chemical Name:
1H-Inden-1-one, 6-chloro-2,3-dihydro-
CAS Number:
14548-38-0
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD00956388
IUPAC Name:
6-chloro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7ClO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChI Key:
SMSGJDOJSQHQIW-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)CC2
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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