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122-37-2 | Phenol, 4-(phenylamino)-
CAS No: 122-37-2 Catalog No: AG0016JF MDL No:MFCD00020142
Product Description
Catalog Number:
AG0016JF
Chemical Name:
Phenol, 4-(phenylamino)-
CAS Number:
122-37-2
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD00020142
IUPAC Name:
4-anilinophenol
InChI:
InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H
InChI Key:
JTTMYKSFKOOQLP-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Nc1ccccc1
EC Number:
204-538-9
UNII:
AYK489T98N
NSC Number:
1543
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Infrared predissociation of ternary cluster cations: the solvent effects on the branching ratio. | Physical chemistry chemical physics : PCCP 20120321 |
| Bimolecular reaction via the successive introduction of two substrates into the crystals of networked molecular cages. | Journal of the American Chemical Society 20111214 |
| Diphenylamine metabolism in 'braeburn' apples stored under conditions conducive to the development of internal browning. | Journal of agricultural and food chemistry 20080514 |
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