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139423-55-5 | 2-Azulenol, 6-bromo-, 2-acetate
CAS No: 139423-55-5 Catalog No: AG001AZT MDL No:
Product Description
Catalog Number:
AG001AZT
Chemical Name:
2-Azulenol, 6-bromo-, 2-acetate
CAS Number:
139423-55-5
Molecular Formula:
C12H9BrO2
Molecular Weight:
265.1027
IUPAC Name:
acetic acid;6-bromoazulen-2-ol
InChI:
InChI=1S/C10H7BrO.C2H4O2/c11-9-3-1-7-5-10(12)6-8(7)2-4-9;1-2(3)4/h1-6,12H;1H3,(H,3,4)
InChI Key:
JYIJYUXLKAVZLY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc2c(c1)ccc(cc2)Br
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.121g/mol
Monoisotopic Mass:
281.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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