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176243-28-0 | Phenol, 2,6-bis(dibromomethyl)-, 1-acetate
CAS No: 176243-28-0 Catalog No: AG0024IQ MDL No:
Product Description
Catalog Number:
AG0024IQ
Chemical Name:
Phenol, 2,6-bis(dibromomethyl)-, 1-acetate
CAS Number:
176243-28-0
Molecular Formula:
C10H8Br4O2
Molecular Weight:
479.7853
IUPAC Name:
acetic acid;2,6-bis(dibromomethyl)phenol
InChI:
InChI=1S/C8H6Br4O.C2H4O2/c9-7(10)4-2-1-3-5(6(4)13)8(11)12;1-2(3)4/h1-3,7-8,13H;1H3,(H,3,4)
InChI Key:
HEWLGVCYTPBRTH-UHFFFAOYSA-N
SMILES:
BrC(c1cccc(c1OC(=O)C)C(Br)Br)Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.732g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
497.803g/mol
Monoisotopic Mass:
493.736g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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