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Home > Bromides > 1403766-79-9
1403766-79-9 | 1H-Isoindol-1-one, 6-bromo-2,3-dihydro-3,3-dimethyl-
CAS No: 1403766-79-9 Catalog No: AG001CB4 MDL No:MFCD23106333
Product Description
Catalog Number:
AG001CB4
Chemical Name:
1H-Isoindol-1-one, 6-bromo-2,3-dihydro-3,3-dimethyl-
CAS Number:
1403766-79-9
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD23106333
IUPAC Name:
6-bromo-3,3-dimethyl-2H-isoindol-1-one
InChI:
InChI=1S/C10H10BrNO/c1-10(2)8-4-3-6(11)5-7(8)9(13)12-10/h3-5H,1-2H3,(H,12,13)
InChI Key:
ZRDLKDWIFKCBMF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)NC2(C)C
Properties
Complexity:
239
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:
1
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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