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138914-16-6 | Benzeneacetic acid, α-[(bromoacetyl)oxy]-, (R)- (9CI)
CAS No: 138914-16-6 Catalog No: AG0019U6 MDL No:
Product Description
Catalog Number:
AG0019U6
Chemical Name:
Benzeneacetic acid, α-[(bromoacetyl)oxy]-, (R)- (9CI)
CAS Number:
138914-16-6
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
IUPAC Name:
2-(2-bromoacetyl)oxy-2-phenylacetic acid
InChI:
InChI=1S/C10H9BrO4/c11-6-8(12)15-9(10(13)14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,13,14)
InChI Key:
WCHOMUSGCZCIFC-UHFFFAOYSA-N
SMILES:
BrCC(=O)O[C@H](c1ccccc1)C(=O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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