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1- (3-bromophenyl) ethanamine

CAT: 0024-sc-332521Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-332521Size:250 mg
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CAS Number
176707-77-0

Chemical Information

(R)-1-(3-bromophenyl)ethanamine
CAS Number176707-77-0
PubChem CID22831503
IUPAC Name(1R)-1-(3-bromophenyl)ethanamine
Molecular FormulaC8H10BrN
Molecular Weight200.08
XLogP1.9
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity105
SMILES
C[C@H](C1=CC(=CC=C1)Br)N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m1/s1
InChIKey
LIBZHYLTOAGURM-ZCFIWIBFSA-N
Chemical Structure
2D Structure
2D structure of (R)-1-(3-bromophenyl)ethanamine
CAS: 176707-77-0
CID: 22831503
Formula: C8H10BrN
MW: 200.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.08
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass198.99966
Monoisotopic Mass198.99966
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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