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Home > Bromides > 1784426-29-4
1784426-29-4 | 7-Bromo-4,4-dimethyl-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 1784426-29-4 Catalog No: AG01F8BT MDL No:
Product Description
Catalog Number:
AG01F8BT
Chemical Name:
7-Bromo-4,4-dimethyl-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
1784426-29-4
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
IUPAC Name:
7-bromo-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
InChI:
InChI=1S/C11H12BrNO/c1-11(2)6-13-10(14)8-5-7(12)3-4-9(8)11/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:
UGOWZEJIWPQYDK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)NCC2(C)C
Properties
Complexity:
252
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
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