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1749-05-9

1749-05-9 | Phenol, 4-[[(4-chlorophenyl)methylene]amino]-

CAS No: 1749-05-9 Catalog No: AG00201Q MDL No:

Product Description

Catalog Number:
AG00201Q
Chemical Name:
Phenol, 4-[[(4-chlorophenyl)methylene]amino]-
CAS Number:
1749-05-9
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
IUPAC Name:
4-[(4-chlorophenyl)methylideneamino]phenol
InChI:
InChI=1S/C13H10ClNO/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(16)8-6-12/h1-9,16H
InChI Key:
FHNNJCYVULKFDO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N=Cc1ccc(cc1)Cl
NSC Number:
1567

Properties

Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.045g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.679g/mol
Monoisotopic Mass:
231.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
N-[(E)-4-Chloro-benzyl-idene]-2,3-dimethyl-aniline. Acta crystallographica. Section E, Structure reports online 20100701

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