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191529-08-5

191529-08-5 | 1,3,5-Benzenetrimethanol, 2,4,6-tribromo-

CAS No: 191529-08-5 Catalog No: AG002FAY MDL No:

Product Description

Catalog Number:
AG002FAY
Chemical Name:
1,3,5-Benzenetrimethanol, 2,4,6-tribromo-
CAS Number:
191529-08-5
Molecular Formula:
C9H9Br3O3
Molecular Weight:
404.8780
IUPAC Name:
[2,4,6-tribromo-3,5-bis(hydroxymethyl)phenyl]methanol
InChI:
InChI=1S/C9H9Br3O3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14/h13-15H,1-3H2
InChI Key:
DNTYGIFJYSSHRM-UHFFFAOYSA-N
SMILES:
OCc1c(Br)c(CO)c(c(c1Br)CO)Br

Properties

Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.808g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
404.88g/mol
Monoisotopic Mass:
401.81g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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