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160889-18-9 | Benzoic acid, 5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)-, methyl ester
CAS No: 160889-18-9 Catalog No: AG001VG8 MDL No:MFCD23702088
Product Description
Catalog Number:
AG001VG8
Chemical Name:
Benzoic acid, 5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)-, methyl ester
CAS Number:
160889-18-9
Molecular Formula:
C17H17BrO4
Molecular Weight:
365.2185
MDL Number:
MFCD23702088
IUPAC Name:
methyl 5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxybenzoate
InChI:
InChI=1S/C17H17BrO4/c1-21-17(20)14-9-13(15(19)10-18)7-8-16(14)22-11-12-5-3-2-4-6-12/h2-9,15,19H,10-11H2,1H3/t15-/m0/s1
InChI Key:
YDZXPQYEBGUSPC-HNNXBMFYSA-N
SMILES:
BrC[C@@H](c1ccc(c(c1)C(=O)OC)OCc1ccccc1)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
364.031g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.223g/mol
Monoisotopic Mass:
364.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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