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BroMhexine IMpurity B

CAT: 0931-T1690-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T1690-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50910-55-9
Target
Others
Related Pathways
Others
Purity
0.9974
Bioactivity
Bromhexine Impurity B reagent used in the preparation of Ambroxol and Bromhexine (B678600) metabolites Ambroxol EP Impurity E.
Smiles
Nc1c(Br)cc(Br)cc1C=O
Molecular Formula
C7H5Br2NO
Molecular Weight
278.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Amino-3,5-dibromobenzaldehyde
CAS Number50910-55-9
PubChem CID688305
IUPAC Name2-amino-3,5-dibromobenzaldehyde
Molecular FormulaC7H5Br2NO
Molecular Weight278.93
XLogP2.6
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
C1=C(C=C(C(=C1C=O)N)Br)Br
InChI
InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2
InChIKey
RCPAZWISSAVDEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-3,5-dibromobenzaldehyde
CAS: 50910-55-9
CID: 688305
Formula: C7H5Br2NO
MW: 278.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.93
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass278.87174
Monoisotopic Mass276.87379
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
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

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