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Compound FL0063

CAT: 0931-FL0063-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0063-02Size:500 mg
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CAS Number
543739-81-7
Purity
0.998
Bioactivity
Compound FL0063, with CAS No. 543739-81-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0063 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Cl.CN1CC(c2cccc(Br)c2)c2cc(Cl)cc(Cl)c2C1
Molecular Formula
C16H15BrCl3N
Molecular Weight
407.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(3-Bromophenyl)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number543739-81-7
PubChem CID22386902
IUPAC Name4-(3-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
Molecular FormulaC16H15BrCl3N
Molecular Weight407.6
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity340
SMILES
CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)Br.Cl
InChI
InChI=1S/C16H14BrCl2N.ClH/c1-20-8-14(10-3-2-4-11(17)5-10)13-6-12(18)7-16(19)15(13)9-20;/h2-7,14H,8-9H2,1H3;1H
InChIKey
POPXXLXYDOGHOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Bromophenyl)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS: 543739-81-7
CID: 22386902
Formula: C16H15BrCl3N
MW: 407.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight407.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass404.94535
Monoisotopic Mass404.94535
Topological Polar Surface Area3.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
FL0023-01Compound FL0023
FL0036-01Compound FL0036
FL0073-01Compound FL0073
FL0066-01Compound FL0066
FL0065-01Compound FL0065
FL0003-01Compound FL0003
FL0072-01Compound FL0072
FL0030-01Compound FL0030
FL0183-01Compound FL0183
FL0092-01Compound FL0092

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HY-14176-01Compound E
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MBS3613444-01Compound W
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