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100097-62-9 | Pyrimidine, 2,4-bis(4-bromophenyl)-
CAS No: 100097-62-9 Catalog No: AG0000WM MDL No:
Product Description
Catalog Number:
AG0000WM
Chemical Name:
Pyrimidine, 2,4-bis(4-bromophenyl)-
CAS Number:
100097-62-9
Molecular Formula:
C16H10Br2N2
Molecular Weight:
390.0720
IUPAC Name:
2,4-bis(4-bromophenyl)pyrimidine
InChI:
InChI=1S/C16H10Br2N2/c17-13-5-1-11(2-6-13)15-9-10-19-16(20-15)12-3-7-14(18)8-4-12/h1-10H
InChI Key:
JQQUNAXIGFWHCD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ccnc(n1)c1ccc(cc1)Br
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.919g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.078g/mol
Monoisotopic Mass:
387.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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