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20099-03-0 | Phenol, 2,4-dibromo-6-[[(4-hydroxyphenyl)imino]methyl]-
CAS No: 20099-03-0 Catalog No: AG002D49 MDL No:
Product Description
Catalog Number:
AG002D49
Chemical Name:
Phenol, 2,4-dibromo-6-[[(4-hydroxyphenyl)imino]methyl]-
CAS Number:
20099-03-0
Molecular Formula:
C13H9Br2NO2
Molecular Weight:
371.0241
IUPAC Name:
2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol
InChI:
InChI=1S/C13H9Br2NO2/c14-9-5-8(13(18)12(15)6-9)7-16-10-1-3-11(17)4-2-10/h1-7,17-18H
InChI Key:
LXVYHLJBTVCHQI-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N=Cc1cc(Br)cc(c1O)Br
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.898g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.028g/mol
Monoisotopic Mass:
368.9g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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