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Home > Aldehydes > 100727-07-9
100727-07-9 | Benzaldehyde, 4-(phenylamino)-
CAS No: 100727-07-9 Catalog No: AG0002QC MDL No:MFCD03950803
Product Description
Catalog Number:
AG0002QC
Chemical Name:
Benzaldehyde, 4-(phenylamino)-
CAS Number:
100727-07-9
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD03950803
IUPAC Name:
4-anilinobenzaldehyde
InChI:
InChI=1S/C13H11NO/c15-10-11-6-8-13(9-7-11)14-12-4-2-1-3-5-12/h1-10,14H
InChI Key:
XXWHZIJHYNPASE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Nc1ccccc1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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