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3,5-Dibromobenzoic acid - Substance Summary (SID 155377)


Data Source:   
Depositor: ChemIDplus
External ID: 000618586

Depositor-Supplied Synonyms: (Total: 5)
Sort:
3,5-Dibromobenzoic acid
BENZOIC ACID, 3,5-DIBROMO-
BRN 1940691
4-09-00-01028 (Beilstein Handbook Reference)
618-58-6


Properties Computed from Structure:
Molecular Weight279.91346 [g/mol]
Molecular FormulaC7H4Br2O2
XLogP33
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count1
Exact Mass279.855758
MonoIsotopic Mass277.857805
Topological Polar Surface Area37.3
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 3,5-dibromobenzoic acid
Canonical SMILES: C1=C(C=C(C=C1Br)Br)C(=O)O
InChI: InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey: SFTFNJZWZHASAQ-UHFFFAOYSA-N


Substance Information:
SID 155377   
Deposit Date: 2005-08-08
Modify Date: 2006-04-28

CID 12063   
Create Date: 2005-03-27

Related Substances:
Same: 16 Links

Similar Substances: 273 Links

     
Compound Displayed

2D

3D
Compound ID12063
Molecular Weight279.91346 [g/mol]
Molecular FormulaC7H4Br2O2
XLogP33
H-Bond Donor1
H-Bond Acceptor2


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