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864866-73-9 | 5-Bromo-2-ethylisoindolin-1-one
CAS No: 864866-73-9 Catalog No: AG004M2N MDL No:MFCD15474907
Product Description
Catalog Number:
AG004M2N
Chemical Name:
5-Bromo-2-ethylisoindolin-1-one
CAS Number:
864866-73-9
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD15474907
IUPAC Name:
5-bromo-2-ethyl-3H-isoindol-1-one
InChI:
InChI=1S/C10H10BrNO/c1-2-12-6-7-5-8(11)3-4-9(7)10(12)13/h3-5H,2,6H2,1H3
InChI Key:
ISLQWKZPHWKYQR-UHFFFAOYSA-N
SMILES:
CCN1Cc2c(C1=O)ccc(c2)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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