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157868-96-7

157868-96-7 | Cinnoline, 4-bromo-3-phenyl-

CAS No: 157868-96-7 Catalog No: AG001PRT MDL No:

Product Description

Catalog Number:
AG001PRT
Chemical Name:
Cinnoline, 4-bromo-3-phenyl-
CAS Number:
157868-96-7
Molecular Formula:
C14H9BrN2
Molecular Weight:
285.1387
IUPAC Name:
4-bromo-3-phenylcinnoline
InChI:
InChI=1S/C14H9BrN2/c15-13-11-8-4-5-9-12(11)16-17-14(13)10-6-2-1-3-7-10/h1-9H
InChI Key:
JALJXXVPTBWIPX-UHFFFAOYSA-N
SMILES:
Brc1c(nnc2c1cccc2)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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