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2-Amino-4-bromophenol

CAT: 0127-OR3159-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR3159-01Size:25 g
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CAS Number
40925-68-6
Synonyms
5-Bromo-2-hydroxyaniline
MDL Number
MFCD00235171
Purity
98%
Smiles
Nc1cc(Br)ccc1O
Storage Conditions
Store at 2-8°C

Chemical Information

2-Amino-4-Bromophenol
CAS Number40925-68-6
PubChem CID351840
IUPAC Name2-amino-4-bromophenol
Molecular FormulaC6H6BrNO
Molecular Weight188.02
XLogP1.9
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=CC(=C(C=C1Br)N)O
InChI
InChI=1S/C6H6BrNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKey
JHRIPENGTGSNPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-4-Bromophenol
CAS: 40925-68-6
CID: 351840
Formula: C6H6BrNO
MW: 188.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.02
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass186.96328
Monoisotopic Mass186.96328
Topological Polar Surface Area46.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
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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