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1273611-01-0

1273611-01-0 | 1H-Inden-1-one, 5-bromo-7-chloro-2,3-dihydro-

CAS No: 1273611-01-0 Catalog No: AG000WZ4 MDL No:

Product Description

Catalog Number:
AG000WZ4
Chemical Name:
1H-Inden-1-one, 5-bromo-7-chloro-2,3-dihydro-
CAS Number:
1273611-01-0
Molecular Formula:
C9H6BrClO
Molecular Weight:
245.5003
IUPAC Name:
5-bromo-7-chloro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H6BrClO/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
InChI Key:
FPRQFNQYLBNEOH-UHFFFAOYSA-N
SMILES:
Brc1cc(Cl)c2c(c1)CCC2=O

Properties

Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.929g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.5g/mol
Monoisotopic Mass:
243.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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