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4870-65-9 | 2-Bromo-2-phenylacetic acid
CAS No: 4870-65-9 Catalog No: AG003NRY MDL No:MFCD00004206
Product Description
Catalog Number:
AG003NRY
Chemical Name:
2-Bromo-2-phenylacetic acid
CAS Number:
4870-65-9
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD00004206
IUPAC Name:
2-bromo-2-phenylacetic acid
InChI:
InChI=1S/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChI Key:
WAKFRZBXTKUFIW-UHFFFAOYSA-N
SMILES:
BrC(c1ccccc1)C(=O)O
EC Number:
225-477-4
NSC Number:
59241
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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