Home Other Building Blocks Bromocresol green

Bromocresol green

CAS No.:
76-60-8
Catalog Number:
AG003A93
Molecular Formula:
C21H14Br4O5S
Molecular Weight:
698.0139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
Dyecontent95%
In Stock USA
United States
$39
- +
5g
98%
In Stock USA
United States
$44
- +
25g
Dyecontent95%
In Stock USA
United States
$116
- +
100g
Dyecontent95%
In Stock USA
United States
$353
- +
250g
Dyecontent95%
In Stock USA
United States
$748
- +
Product Description
Catalog Number:
AG003A93
Chemical Name:
Bromocresol green
CAS Number:
76-60-8
Molecular Formula:
C21H14Br4O5S
Molecular Weight:
698.0139
MDL Number:
MFCD00005874
IUPAC Name:
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
InChI:
InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3
InChI Key:
FRPHFZCDPYBUAU-UHFFFAOYSA-N
SMILES:
Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O
EC Number:
200-972-8
UNII:
8YGN0Y942M
NSC Number:
7817
Properties
Complexity:
742  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
697.725g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
698.014g/mol
Monoisotopic Mass:
693.73g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5  
Literature
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Properties