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1199783-05-5 | 1H-Inden-1-one, 7-chloro-2,3-dihydro-5-methoxy-
CAS No: 1199783-05-5 Catalog No: AG000PYN MDL No:MFCD09908159
Product Description
Catalog Number:
AG000PYN
Chemical Name:
1H-Inden-1-one, 7-chloro-2,3-dihydro-5-methoxy-
CAS Number:
1199783-05-5
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
MDL Number:
MFCD09908159
IUPAC Name:
7-chloro-5-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9ClO2/c1-13-7-4-6-2-3-9(12)10(6)8(11)5-7/h4-5H,2-3H2,1H3
InChI Key:
SIBRXUQEMPJVSW-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c2c(c1)CCC2=O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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