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1016681-15-4 | Benzenamine, 3-[(4-chlorophenoxy)methyl]-
CAS No: 1016681-15-4 Catalog No: AG00054K MDL No:MFCD09816732
Product Description
Catalog Number:
AG00054K
Chemical Name:
Benzenamine, 3-[(4-chlorophenoxy)methyl]-
CAS Number:
1016681-15-4
Molecular Formula:
C13H12ClNO
Molecular Weight:
233.6935
MDL Number:
MFCD09816732
IUPAC Name:
3-[(4-chlorophenoxy)methyl]aniline
InChI:
InChI=1S/C13H12ClNO/c14-11-4-6-13(7-5-11)16-9-10-2-1-3-12(15)8-10/h1-8H,9,15H2
InChI Key:
KMLRTSYDMHTSJL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCc1cccc(c1)N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.695g/mol
Monoisotopic Mass:
233.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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