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88450-68-4 | Benzenemethanamine, N-(2,4-dichlorophenyl)-
CAS No: 88450-68-4 Catalog No: AG004EID MDL No:
Product Description
Catalog Number:
AG004EID
Chemical Name:
Benzenemethanamine, N-(2,4-dichlorophenyl)-
CAS Number:
88450-68-4
Molecular Formula:
C13H11Cl2N
Molecular Weight:
252.1391
IUPAC Name:
N-benzyl-2,4-dichloroaniline
InChI:
InChI=1S/C13H11Cl2N/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChI Key:
CIOZTNUIZOLRED-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)NCc1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.138g/mol
Monoisotopic Mass:
251.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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