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124254-92-8 | 1,2-Benzenediol, 4-(bromomethyl)-, 1,2-diacetate
CAS No: 124254-92-8 Catalog No: AG000LRV MDL No:
Product Description
Catalog Number:
AG000LRV
Chemical Name:
1,2-Benzenediol, 4-(bromomethyl)-, 1,2-diacetate
CAS Number:
124254-92-8
Molecular Formula:
C11H11BrO4
Molecular Weight:
287.1066
IUPAC Name:
[2-acetyloxy-4-(bromomethyl)phenyl] acetate
InChI:
InChI=1S/C11H11BrO4/c1-7(13)15-10-4-3-9(6-12)5-11(10)16-8(2)14/h3-5H,6H2,1-2H3
InChI Key:
NOUXXHFLLIWASN-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)OC(=O)C)OC(=O)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.109g/mol
Monoisotopic Mass:
285.984g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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