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147217-74-1 | Benzene, 1,2-dibromo-3-(2-bromophenoxy)-
CAS No: 147217-74-1 Catalog No: AG001EPD MDL No:
Product Description
Catalog Number:
AG001EPD
Chemical Name:
Benzene, 1,2-dibromo-3-(2-bromophenoxy)-
CAS Number:
147217-74-1
Molecular Formula:
C12H7Br3O
Molecular Weight:
406.8954
IUPAC Name:
1,2-dibromo-3-(2-bromophenoxy)benzene
InChI:
InChI=1S/C12H7Br3O/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7H
InChI Key:
VRNGWCVCSHJUEJ-UHFFFAOYSA-N
SMILES:
Brc1ccccc1Oc1cccc(c1Br)Br
UNII:
NJ3800VA7T
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.803g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.899g/mol
Monoisotopic Mass:
403.805g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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