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1022-13-5 | Methanone, [5-chloro-2-(methylamino)phenyl]phenyl-
CAS No: 1022-13-5 Catalog No: AG0006W9 MDL No:MFCD00008284
Product Description
Catalog Number:
AG0006W9
Chemical Name:
Methanone, [5-chloro-2-(methylamino)phenyl]phenyl-
CAS Number:
1022-13-5
Molecular Formula:
C14H12ClNO
Molecular Weight:
245.7042
MDL Number:
MFCD00008284
IUPAC Name:
[5-chloro-2-(methylamino)phenyl]-phenylmethanone
InChI:
InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChI Key:
WPNMLCMTDCANOZ-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1C(=O)c1ccccc1)Cl
EC Number:
213-822-1
UNII:
D4GD5770PI
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.706g/mol
Monoisotopic Mass:
245.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Growth and characterization of organic material 2-methylamino-5-chlorobenzophenone single crystal by modified vertical Bridgman technique. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901 |
| 2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone. | Acta crystallographica. Section E, Structure reports online 20090801 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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