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87665-04-1 | Isoquinoline, 7,8-dibromo-1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-
CAS No: 87665-04-1 Catalog No: AG004H6O MDL No:
Product Description
Catalog Number:
AG004H6O
Chemical Name:
Isoquinoline, 7,8-dibromo-1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-
CAS Number:
87665-04-1
Molecular Formula:
C12H15Br2NO2
Molecular Weight:
365.0610
IUPAC Name:
7,8-dibromo-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H15Br2NO2/c1-15-5-4-7-8(6-15)9(13)10(14)12(17-3)11(7)16-2/h4-6H2,1-3H3
InChI Key:
BBOHAVQZEAJEMN-UHFFFAOYSA-N
SMILES:
COc1c(OC)c2CCN(Cc2c(c1Br)Br)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.945g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.065g/mol
Monoisotopic Mass:
362.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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