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88466-27-7 | Benzoic acid, 3-(2-bromo-1-hydroxypropyl)-2-(phenylmethoxy)-
CAS No: 88466-27-7 Catalog No: AG004CL9 MDL No:
Product Description
Catalog Number:
AG004CL9
Chemical Name:
Benzoic acid, 3-(2-bromo-1-hydroxypropyl)-2-(phenylmethoxy)-
CAS Number:
88466-27-7
Molecular Formula:
C17H17BrO4
Molecular Weight:
365.2185
IUPAC Name:
3-(2-bromo-1-hydroxypropyl)-2-phenylmethoxybenzoic acid
InChI:
InChI=1S/C17H17BrO4/c1-11(18)15(19)13-8-5-9-14(17(20)21)16(13)22-10-12-6-3-2-4-7-12/h2-9,11,15,19H,10H2,1H3,(H,20,21)
InChI Key:
LVQOERFYSZPWJC-UHFFFAOYSA-N
SMILES:
OC(c1cccc(c1OCc1ccccc1)C(=O)O)C(Br)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
365.223g/mol
Monoisotopic Mass:
364.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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