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30565-53-8 | Benzeneacetic acid, 4-bromo-α-hydroxy-, ethyl ester
CAS No: 30565-53-8 Catalog No: AG0030KC MDL No:MFCD16693957
Product Description
Catalog Number:
AG0030KC
Chemical Name:
Benzeneacetic acid, 4-bromo-α-hydroxy-, ethyl ester
CAS Number:
30565-53-8
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD16693957
IUPAC Name:
ethyl 2-(4-bromophenyl)-2-hydroxyacetate
InChI:
InChI=1S/C10H11BrO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3
InChI Key:
QZIWCBLMZYKXPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)Br)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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