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101287-58-5 | 2-Propanol, 1-[(4-methoxyphenyl)amino]-3-phenoxy-
CAS No: 101287-58-5 Catalog No: AG000453 MDL No:
Product Description
Catalog Number:
AG000453
Chemical Name:
2-Propanol, 1-[(4-methoxyphenyl)amino]-3-phenoxy-
CAS Number:
101287-58-5
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
1-(4-methoxyanilino)-3-phenoxypropan-2-ol
InChI:
InChI=1S/C16H19NO3/c1-19-15-9-7-13(8-10-15)17-11-14(18)12-20-16-5-3-2-4-6-16/h2-10,14,17-18H,11-12H2,1H3
InChI Key:
DCQSAFZWHPLTEN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NCC(COc1ccccc1)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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