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70259-79-9 | 2(1H)-Isoquinolinecarbonitrile, 4-bromo-3-(diethylamino)-3,4-dihydro-1-methoxy-
CAS No: 70259-79-9 Catalog No: AG005KFO MDL No:
Product Description
Catalog Number:
AG005KFO
Chemical Name:
2(1H)-Isoquinolinecarbonitrile, 4-bromo-3-(diethylamino)-3,4-dihydro-1-methoxy-
CAS Number:
70259-79-9
Molecular Formula:
C15H20BrN3O
Molecular Weight:
338.2428
IUPAC Name:
4-bromo-3-(diethylamino)-1-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile
InChI:
InChI=1S/C15H20BrN3O/c1-4-18(5-2)14-13(16)11-8-6-7-9-12(11)15(20-3)19(14)10-17/h6-9,13-15H,4-5H2,1-3H3
InChI Key:
REOPBVZRCQRTJV-UHFFFAOYSA-N
SMILES:
COC1N(C#N)C(N(CC)CC)C(c2c1cccc2)Br
NSC Number:
329010
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.249g/mol
Monoisotopic Mass:
337.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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