4-Aminocatechol hydrobromide

CAT: 0926-FA45794-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FA45794-01Size:1 g

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CAS Number

158627-59-9

Synonyms

4-Aminobenzene-1,2-diol hydrobromide

MDL Number

MFCD08166278

Smiles

C1=CC (=C (C=C1N) O) O.Br

Molecular Formula

C6H8NO2Br

Molecular Weight

206.04 g/mol

Controlled

Chemical Information

4-Aminobenzene-1,2-diol hydrobromide

CAS Number	158627-59-9
PubChem CID	42614270
IUPAC Name	4-aminobenzene-1,2-diol;hydrobromide
Molecular Formula	C6H8BrNO2
Molecular Weight	206.04
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C=C1N)O)O.Br

InChI

InChI=1S/C6H7NO2.BrH/c7-4-1-2-5(8)6(9)3-4;/h1-3,8-9H,7H2;1H

InChIKey

CMAHPMGEFWJMCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 158627-59-9

CID: 42614270

Formula: C6H8BrNO2

MW: 206.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.04
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	204.97384
Monoisotopic Mass	204.97384
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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