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85712-10-3 | Phenol,4-bromo-2,6-dimethyl-, sodium salt (1:1)
CAS No: 85712-10-3 Catalog No: AG004ZLE MDL No:
Product Description
Catalog Number:
AG004ZLE
Chemical Name:
Phenol,4-bromo-2,6-dimethyl-, sodium salt (1:1)
CAS Number:
85712-10-3
Molecular Formula:
C8H8BrNaO
Molecular Weight:
223.0423
IUPAC Name:
sodium;4-bromo-2,6-dimethylphenolate
InChI:
InChI=1S/C8H9BrO.Na/c1-5-3-7(9)4-6(2)8(5)10;/h3-4,10H,1-2H3;/q;+1/p-1
InChI Key:
UPEUQPKXADLKGG-UHFFFAOYSA-M
SMILES:
Brc1cc(C)c(c(c1)C)[O-].[Na+]
EC Number:
288-369-6
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.966g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.045g/mol
Monoisotopic Mass:
221.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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