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13124-84-0 | 1,2,4-Benzenetricarboxylic acid, 5-bromo-
CAS No: 13124-84-0 Catalog No: AG000VSF MDL No:
Product Description
Catalog Number:
AG000VSF
Chemical Name:
1,2,4-Benzenetricarboxylic acid, 5-bromo-
CAS Number:
13124-84-0
Molecular Formula:
C9H5BrO6
Molecular Weight:
289.0364
IUPAC Name:
5-bromobenzene-1,2,4-tricarboxylic acid
InChI:
InChI=1S/C9H5BrO6/c10-6-2-4(8(13)14)3(7(11)12)1-5(6)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)
InChI Key:
OXNVDGZIMMCMTP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)Br
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.927g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.037g/mol
Monoisotopic Mass:
287.927g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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