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1260821-29-1

1260821-29-1 | Benzamide, N-(5-bromo-3-chloro-2-pyridinyl)-

CAS No: 1260821-29-1 Catalog No: AG000REH MDL No:

Product Description

Catalog Number:
AG000REH
Chemical Name:
Benzamide, N-(5-bromo-3-chloro-2-pyridinyl)-
CAS Number:
1260821-29-1
Molecular Formula:
C12H8BrClN2O
Molecular Weight:
311.5617
IUPAC Name:
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-bromobenzamide
InChI:
InChI=1S/C22H16Br2N2O3/c23-15-10-11-19(17(12-15)21(28)14-6-2-1-3-7-14)26-20(27)13-25-22(29)16-8-4-5-9-18(16)24/h1-12H,13H2,(H,25,29)(H,26,27)
InChI Key:
BSRBMSCLMKFQGE-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)Cl)NC(=O)c1ccccc1

Properties

Complexity:
595  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.951g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
516.189g/mol
Monoisotopic Mass:
513.953g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

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