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158627-59-9

158627-59-9 | 1,2-Benzenediol, 4-amino-, hydrobromide (1:1)

CAS No: 158627-59-9 Catalog No: AG001QDR MDL No:MFCD08166278

Product Description

Catalog Number:
AG001QDR
Chemical Name:
1,2-Benzenediol, 4-amino-, hydrobromide (1:1)
CAS Number:
158627-59-9
Molecular Formula:
C6H8BrNO2
Molecular Weight:
206.0372
MDL Number:
MFCD08166278
IUPAC Name:
4-aminobenzene-1,2-diol;hydrobromide
InChI:
InChI=1S/C6H7NO2.BrH/c7-4-1-2-5(8)6(9)3-4;/h1-3,8-9H,7H2;1H
InChI Key:
CMAHPMGEFWJMCI-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)O)O.Br

Properties

Complexity:
97.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.974g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
206.039g/mol
Monoisotopic Mass:
204.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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