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Home > Bromides > 2055840-66-7
2055840-66-7 | 1H-Isoindole, 6-bromo-2,3-dihydro-1,1-dimethyl-, hydrochloride (1:1)
CAS No: 2055840-66-7 Catalog No: AG002A7A MDL No:
Product Description
Catalog Number:
AG002A7A
Chemical Name:
1H-Isoindole, 6-bromo-2,3-dihydro-1,1-dimethyl-, hydrochloride (1:1)
CAS Number:
2055840-66-7
Molecular Formula:
C10H13BrClN
Molecular Weight:
262.5739
IUPAC Name:
5-bromo-3,3-dimethyl-1,2-dihydroisoindole;hydrochloride
InChI:
InChI=1S/C10H12BrN.ClH/c1-10(2)9-5-8(11)4-3-7(9)6-12-10;/h3-5,12H,6H2,1-2H3;1H
InChI Key:
QDQZPSUJEMWYRD-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(C)(C)NC2.Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.575g/mol
Monoisotopic Mass:
260.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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