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6846-12-4 | 4-Bromo-N-phenylbenzamide
CAS No: 6846-12-4 Catalog No: AG003TAW MDL No:MFCD00624477
Product Description
Catalog Number:
AG003TAW
Chemical Name:
4-Bromo-N-phenylbenzamide
CAS Number:
6846-12-4
Molecular Formula:
C13H10BrNO
Molecular Weight:
276.1286
MDL Number:
MFCD00624477
IUPAC Name:
4-bromo-N-phenylbenzamide
InChI:
InChI=1S/C13H10BrNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)
InChI Key:
QVTGXXQAVWWJRO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Nc1ccccc1
Properties
Complexity:
230
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:
3.3
Literature
| Title | Journal |
|---|---|
| 4-Bromo-N-phenyl-benzamide. | Acta crystallographica. Section E, Structure reports online 20120401 |
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