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102740-05-6 | Phenol, 3,5-dibromo-2-(4-bromophenoxy)-
CAS No: 102740-05-6 Catalog No: AG00089O MDL No:
Product Description
Catalog Number:
AG00089O
Chemical Name:
Phenol, 3,5-dibromo-2-(4-bromophenoxy)-
CAS Number:
102740-05-6
Molecular Formula:
C12H7Br3O2
Molecular Weight:
422.8948
IUPAC Name:
3,5-dibromo-2-(4-bromophenoxy)phenol
InChI:
InChI=1S/C12H7Br3O2/c13-7-1-3-9(4-2-7)17-12-10(15)5-8(14)6-11(12)16/h1-6,16H
InChI Key:
CBBXVDFZFOSKNV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Oc1c(O)cc(cc1Br)Br
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.798g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.898g/mol
Monoisotopic Mass:
419.8g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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