Home Halogens 5-bromo-3,3,7-trimethyl-2,3-dihydro-1H-indol-2-one

5-bromo-3,3,7-trimethyl-2,3-dihydro-1H-indol-2-one

CAS No.:
1379363-44-6
Catalog Number:
AG01ACBE
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
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Product Description
Catalog Number:
AG01ACBE
Chemical Name:
5-bromo-3,3,7-trimethyl-2,3-dihydro-1H-indol-2-one
CAS Number:
1379363-44-6
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD16657839
IUPAC Name:
5-bromo-3,3,7-trimethyl-1H-indol-2-one
InChI:
InChI=1S/C11H12BrNO/c1-6-4-7(12)5-8-9(6)13-10(14)11(8,2)3/h4-5H,1-3H3,(H,13,14)
InChI Key:
UQWXOURJMWOOIM-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c2c(c1)C(C)(C)C(=O)N2
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties