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13130-23-9 | Benzoic acid, 3,5-dibromo-2-methoxy-
CAS No: 13130-23-9 Catalog No: AG000VWE MDL No:MFCD00016510
Product Description
Catalog Number:
AG000VWE
Chemical Name:
Benzoic acid, 3,5-dibromo-2-methoxy-
CAS Number:
13130-23-9
Molecular Formula:
C8H6Br2O3
Molecular Weight:
309.9394
MDL Number:
MFCD00016510
IUPAC Name:
3,5-dibromo-2-methoxybenzoic acid
InChI:
InChI=1S/C8H6Br2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key:
GDGFGZWIQSUSAX-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1C(=O)O)Br
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.866g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.941g/mol
Monoisotopic Mass:
307.868g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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