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887580-51-0 | Benzenamine,3-(4-chloro-3-methylphenoxy)-
CAS No: 887580-51-0 Catalog No: AG004CFY MDL No:
Product Description
Catalog Number:
AG004CFY
Chemical Name:
Benzenamine,3-(4-chloro-3-methylphenoxy)-
CAS Number:
887580-51-0
Molecular Formula:
C13H12ClNO
Molecular Weight:
233.6935
IUPAC Name:
3-(4-chloro-3-methylphenoxy)aniline
InChI:
InChI=1S/C13H12ClNO/c1-9-7-12(5-6-13(9)14)16-11-4-2-3-10(15)8-11/h2-8H,15H2,1H3
InChI Key:
IBOQURBNMQXFBS-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Oc1ccc(c(c1)C)Cl
Properties
Complexity:
224
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:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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