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202601-20-5 | 1,10-Phenanthroline, 3,5,8-tribromo-
CAS No: 202601-20-5 Catalog No: AG0028C0 MDL No:
Product Description
Catalog Number:
AG0028C0
Chemical Name:
1,10-Phenanthroline, 3,5,8-tribromo-
CAS Number:
202601-20-5
Molecular Formula:
C12H5Br3N2
Molecular Weight:
416.8935
IUPAC Name:
3,5,8-tribromo-1,10-phenanthroline
InChI:
InChI=1S/C12H5Br3N2/c13-7-1-6-2-10(15)9-3-8(14)5-17-12(9)11(6)16-4-7/h1-5H
InChI Key:
YUXPXZRZVBBCLX-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)cc(c1c2ncc(c1)Br)Br
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.798g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.898g/mol
Monoisotopic Mass:
413.8g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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