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84859-93-8 | Benzenamine, 3-chloro-4-[4-(1-methylethyl)phenoxy]-
CAS No: 84859-93-8 Catalog No: AG004QNJ MDL No:MFCD08687353
Product Description
Catalog Number:
AG004QNJ
Chemical Name:
Benzenamine, 3-chloro-4-[4-(1-methylethyl)phenoxy]-
CAS Number:
84859-93-8
Molecular Formula:
C15H16ClNO
Molecular Weight:
261.7466
MDL Number:
MFCD08687353
IUPAC Name:
3-chloro-4-(4-propan-2-ylphenoxy)aniline
InChI:
InChI=1S/C15H16ClNO/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(17)9-14(15)16/h3-10H,17H2,1-2H3
InChI Key:
HMPSHJMPNORPRO-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)Oc1ccc(cc1)C(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.749g/mol
Monoisotopic Mass:
261.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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