Home Halogens N-[(4-chlorophenyl)methyl]aniline

N-[(4-chlorophenyl)methyl]aniline

CAS No.:
4750-61-2
Catalog Number:
AG019X0E
Molecular Formula:
C13H12ClN
Molecular Weight:
217.6941
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Product Description
Catalog Number:
AG019X0E
Chemical Name:
N-[(4-chlorophenyl)methyl]aniline
CAS Number:
4750-61-2
Molecular Formula:
C13H12ClN
Molecular Weight:
217.6941
MDL Number:
MFCD03210840
IUPAC Name:
N-[(4-chlorophenyl)methyl]aniline
InChI:
InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,15H,10H2
InChI Key:
JCVWTDNFPZCYRM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CNc1ccccc1
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.066g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.696g/mol
Monoisotopic Mass:
217.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Bis(4-chloro-benzyl-ammonium) tetra-kis(2,6-diethyl-anilinium) cyclo-hexa-phosphate tetra-hydrate. Acta crystallographica. Section E, Structure reports online 20090301
Properties