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70787-27-8

70787-27-8 | N-(2-Bromophenyl)benzamide

CAS No: 70787-27-8 Catalog No: AG005G5M MDL No:

Product Description

Catalog Number:
AG005G5M
Chemical Name:
N-(2-Bromophenyl)benzamide
CAS Number:
70787-27-8
Molecular Formula:
C13H10BrNO
Molecular Weight:
276.1286
IUPAC Name:
N-(2-bromophenyl)benzamide
InChI:
InChI=1S/C13H10BrNO/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChI Key:
USYBDUIHFMIQCP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccccc1Br
NSC Number:
406273

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.995g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.133g/mol
Monoisotopic Mass:
274.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
Cobalt-catalyzed intramolecular C-N and C-O cross-coupling reactions: synthesis of benzimidazoles and benzoxazoles. Organic & biomolecular chemistry 20101221

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