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Home > Bromides > 1393576-39-0
1393576-39-0 | Isoquinoline, 6-bromo-1,2,3,4-tetrahydro-1,1-dimethyl-
CAS No: 1393576-39-0 Catalog No: AG001AU3 MDL No:
Product Description
Catalog Number:
AG001AU3
Chemical Name:
Isoquinoline, 6-bromo-1,2,3,4-tetrahydro-1,1-dimethyl-
CAS Number:
1393576-39-0
Molecular Formula:
C11H14BrN
Molecular Weight:
240.1396
IUPAC Name:
6-bromo-1,1-dimethyl-3,4-dihydro-2H-isoquinoline
InChI:
InChI=1S/C11H14BrN/c1-11(2)10-4-3-9(12)7-8(10)5-6-13-11/h3-4,7,13H,5-6H2,1-2H3
InChI Key:
WFFAZFOOYCMKDP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCNC2(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.144g/mol
Monoisotopic Mass:
239.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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