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89210-89-9 | Phenol, 4-(2-bromoethoxy)-, acetate
CAS No: 89210-89-9 Catalog No: AG00463Y MDL No:
Product Description
Catalog Number:
AG00463Y
Chemical Name:
Phenol, 4-(2-bromoethoxy)-, acetate
CAS Number:
89210-89-9
Molecular Formula:
C10H13BrO4
Molecular Weight:
277.1118
IUPAC Name:
acetic acid;4-(2-bromoethoxy)phenol
InChI:
InChI=1S/C8H9BrO2.C2H4O2/c9-5-6-11-8-3-1-7(10)2-4-8;1-2(3)4/h1-4,10H,5-6H2;1H3,(H,3,4)
InChI Key:
PGUCLAHKRDTGDM-UHFFFAOYSA-N
SMILES:
CC(=O)O.BrCCOc1ccc(cc1)O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.114g/mol
Monoisotopic Mass:
276g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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