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22230-43-9 | 2,3,4,5,6-PENTABROMOBENZOIC ACID
CAS No: 22230-43-9 Catalog No: AG01EUJV MDL No:
Product Description
Catalog Number:
AG01EUJV
Chemical Name:
2,3,4,5,6-PENTABROMOBENZOIC ACID
CAS Number:
22230-43-9
Molecular Formula:
C7HBr5O2
Molecular Weight:
516.6016
IUPAC Name:
2,3,4,5,6-pentabromobenzoic acid
InChI:
InChI=1S/C7HBr5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChI Key:
DWSGWKLIVYONLK-UHFFFAOYSA-N
SMILES:
Brc1c(Br)c(C(=O)O)c(c(c1Br)Br)Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.585g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
516.603g/mol
Monoisotopic Mass:
511.589g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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