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552814-33-2

552814-33-2 | 4-Bromo-N-quinolin-5-yl-benzamide

CAS No: 552814-33-2 Catalog No: AG01EWFU MDL No:

Product Description

Catalog Number:
AG01EWFU
Chemical Name:
4-Bromo-N-quinolin-5-yl-benzamide
CAS Number:
552814-33-2
Molecular Formula:
C16H11BrN2O
Molecular Weight:
327.1753
IUPAC Name:
4-bromo-N-quinolin-5-ylbenzamide
InChI:
InChI=1S/C16H11BrN2O/c17-12-8-6-11(7-9-12)16(20)19-15-5-1-4-14-13(15)3-2-10-18-14/h1-10H,(H,19,20)
InChI Key:
YKDTWOVXDKBEDE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Nc1cccc2c1cccn2

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.005g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.181g/mol
Monoisotopic Mass:
326.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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