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5-Bromo Brassinin 10mg

CAT: 0628-A13610-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13610-10Size:10 mg
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CAS Number
1076199-55-7

Chemical Information

5-Bromo Brassinin
CAS Number1076199-55-7
PubChem CID45038435
IUPAC Namemethyl N-[(6-bromo-3H-isoindol-1-yl)methyl]carbamodithioate
Molecular FormulaC11H11BrN2S2
Molecular Weight315.3
XLogP2.9
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity306
SMILES
CSC(=S)NCC1=NCC2=C1C=C(C=C2)Br
InChI
InChI=1S/C11H11BrN2S2/c1-16-11(15)14-6-10-9-4-8(12)3-2-7(9)5-13-10/h2-4H,5-6H2,1H3,(H,14,15)
InChIKey
SGIKNMBQDBAPSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo Brassinin
CAS: 1076199-55-7
CID: 45038435
Formula: C11H11BrN2S2
MW: 315.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight315.3
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass313.95470
Monoisotopic Mass313.95470
Topological Polar Surface Area81.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes