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10129-78-9 | Acetic acid, 2-(2,4-dibromophenoxy)-
CAS No: 10129-78-9 Catalog No: AG00045T MDL No:MFCD00051478
Product Description
Catalog Number:
AG00045T
Chemical Name:
Acetic acid, 2-(2,4-dibromophenoxy)-
CAS Number:
10129-78-9
Molecular Formula:
C8H6Br2O3
Molecular Weight:
309.9394
MDL Number:
MFCD00051478
IUPAC Name:
2-(2,4-dibromophenoxy)acetic acid
InChI:
InChI=1S/C8H6Br2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
LIIAWXHMVYLFGT-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1Br)Br
EC Number:
233-364-6
Properties
Complexity:
186
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:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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