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203314-28-7 | Benzeneacetic acid, 2,5-dibromo-
CAS No: 203314-28-7 Catalog No: AG0028U1 MDL No:MFCD02664691
Product Description
Catalog Number:
AG0028U1
Chemical Name:
Benzeneacetic acid, 2,5-dibromo-
CAS Number:
203314-28-7
Molecular Formula:
C8H6Br2O2
Molecular Weight:
293.9400
MDL Number:
MFCD02664691
IUPAC Name:
2-(2,5-dibromophenyl)acetic acid
InChI:
InChI=1S/C8H6Br2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
NKZKFWYEXDBOTP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(Br)ccc1Br
EC Number:
804-900-1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.871g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.942g/mol
Monoisotopic Mass:
291.873g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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