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4-Bromo-2-methoxyaniline

CAT: 0013-GTR19245793-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245793-01Size:25 g
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Description
4-Bromo-2-methoxyaniline is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
59557-91-4
Smiles
NC1=CC=C (Br) C=C1OC
Molecular Formula
C7H8BrNO
Molecular Weight
202.049
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Bromo-2-methoxyaniline
CAS Number59557-91-4
PubChem CID459257
IUPAC Name4-bromo-2-methoxyaniline
Molecular FormulaC7H8BrNO
Molecular Weight202.05
XLogP1.9
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
COC1=C(C=CC(=C1)Br)N
InChI
InChI=1S/C7H8BrNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChIKey
WRFYIYOXJWKONR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-methoxyaniline
CAS: 59557-91-4
CID: 459257
Formula: C7H8BrNO
MW: 202.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.05
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass200.97893
Monoisotopic Mass200.97893
Topological Polar Surface Area35.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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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