Home Aldehydes 100727-07-9
100727-07-9,MFCD03950803
Catalog No.:AA0002NK
100727-07-9 | 4-(Phenylamino)benzaldehyde
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1g
95%
1 week  
$210.00   $147.00
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Technical Information
Catalog Number:
AA0002NK
Chemical Name:
4-(Phenylamino)benzaldehyde
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
Computed 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  

Synonyms
 
4-(Phenylamino)benzaldehyde 
100727-07-9 
SCHEMBL510414 
CTK0G8669 
DTXSID40368479 
XXWHZIJHYNPASE-UHFFFAOYSA-N 
KS-00001B6C 
ZINC3281053 
AKOS006243100 
MCULE-8879533443 
RP04115 
AS-40932 
Benzaldehyde, 4-(phenylamino)- 
DA-16429 
CS-0046852 
FT-0747640 
Y6777 
C13H11NO 
ZINC03281053 
CID2396509 
4-(phenylamino)benzaldehyde, 95% - 1G 1g 
4-anilinobenzaldehyde 
4-phenylaminobenzaldehyde 
W-204387 
MFCD03950803 
ACMC-20m3ss 
4-phenylamino-benzaldehyde 
AC1M6E5M 
Literature
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