Home Halogens N-benzyl-3-chloroaniline hydrochloride

N-benzyl-3-chloroaniline hydrochloride

CAS No.:
93445-15-9
Catalog Number:
AG01EHV3
Molecular Formula:
C13H13Cl2N
Molecular Weight:
254.1550
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Product Description
Catalog Number:
AG01EHV3
Chemical Name:
N-benzyl-3-chloroaniline hydrochloride
CAS Number:
93445-15-9
Molecular Formula:
C13H13Cl2N
Molecular Weight:
254.1550
MDL Number:
MFCD31665968
IUPAC Name:
N-benzyl-3-chloroaniline;hydrochloride
InChI:
InChI=1S/C13H12ClN.ClH/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11;/h1-9,15H,10H2;1H
InChI Key:
KTEGESCSRYVFGA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NCc1ccccc1.Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.154g/mol
Monoisotopic Mass:
253.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties