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1825-26-9

1825-26-9 | Benzene, 1,2,3,4,5-pentabromo-6-methoxy-

CAS No: 1825-26-9 Catalog No: AG0023XY MDL No:

Product Description

Catalog Number:
AG0023XY
Chemical Name:
Benzene, 1,2,3,4,5-pentabromo-6-methoxy-
CAS Number:
1825-26-9
Molecular Formula:
C7H3Br5O
Molecular Weight:
502.6181
IUPAC Name:
1,2,3,4,5-pentabromo-6-methoxybenzene
InChI:
InChI=1S/C7H3Br5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChI Key:
VEFNQGLEDJPUJF-UHFFFAOYSA-N
SMILES:
COc1c(Br)c(Br)c(c(c1Br)Br)Br

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.606g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.62g/mol
Monoisotopic Mass:
497.61g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

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