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29270-30-2 | Benzeneacetic acid, α-bromo-2-chloro-
CAS No: 29270-30-2 Catalog No: AG001FXL MDL No:MFCD03428513
Product Description
Catalog Number:
AG001FXL
Chemical Name:
Benzeneacetic acid, α-bromo-2-chloro-
CAS Number:
29270-30-2
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD03428513
IUPAC Name:
2-bromo-2-(2-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H6BrClO2/c9-7(8(11)12)5-3-1-2-4-6(5)10/h1-4,7H,(H,11,12)
InChI Key:
XHAPROULWZYBGA-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1Cl)Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Copper(II)-mediated resolution of alpha-halo carboxylic acids with chiral O,O'-dibenzoyltartaric acid: spontaneous racemization and crystallization-induced dynamic resolution. | Organic & biomolecular chemistry 20051207 |
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