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Home > Bromides > 1026420-83-6
1026420-83-6 | 1,3-Benzenediol, 5-(1-bromoethyl)-, 1,3-diacetate
CAS No: 1026420-83-6 Catalog No: AG00080D MDL No:
Product Description
Catalog Number:
AG00080D
Chemical Name:
1,3-Benzenediol, 5-(1-bromoethyl)-, 1,3-diacetate
CAS Number:
1026420-83-6
Molecular Formula:
C12H13BrO4
Molecular Weight:
301.1332
IUPAC Name:
[3-acetyloxy-5-(1-bromoethyl)phenyl] acetate
InChI:
InChI=1S/C12H13BrO4/c1-7(13)10-4-11(16-8(2)14)6-12(5-10)17-9(3)15/h4-7H,1-3H3
InChI Key:
ZYSHBERCPPDDCB-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(OC(=O)C)cc(c1)C(Br)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.136g/mol
Monoisotopic Mass:
300g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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