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1401421-14-4 | Cinnoline, 7-bromo-3-phenyl-
CAS No: 1401421-14-4 Catalog No: AG001C2L MDL No:
Product Description
Catalog Number:
AG001C2L
Chemical Name:
Cinnoline, 7-bromo-3-phenyl-
CAS Number:
1401421-14-4
Molecular Formula:
C14H9BrN2
Molecular Weight:
285.1387
IUPAC Name:
7-bromo-3-phenylcinnoline
InChI:
InChI=1S/C14H9BrN2/c15-12-7-6-11-8-13(16-17-14(11)9-12)10-4-2-1-3-5-10/h1-9H
InChI Key:
FBPRFIXNNLLZEP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nnc(c2)c1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.144g/mol
Monoisotopic Mass:
283.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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