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116333-48-3

116333-48-3 | 1,4-Benzenediol, 2-bromo-3-mercapto-

CAS No: 116333-48-3 Catalog No: AG000C7Z MDL No:

Product Description

Catalog Number:
AG000C7Z
Chemical Name:
1,4-Benzenediol, 2-bromo-3-mercapto-
CAS Number:
116333-48-3
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
IUPAC Name:
2-bromo-3-sulfanylbenzene-1,4-diol
InChI:
InChI=1S/C6H5BrO2S/c7-5-3(8)1-2-4(9)6(5)10/h1-2,8-10H
InChI Key:
SVHPPUKUWCKOTM-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1Br)S)O

Properties

Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.919g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.068g/mol
Monoisotopic Mass:
219.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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