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1632286-22-6 | 4(1H)-Pyridinone, 1-(3-bromophenyl)-2-(hydroxymethyl)-5-[(phenylmethoxy)methoxy]-
CAS No: 1632286-22-6 Catalog No: AG001TWI MDL No:
Product Description
Catalog Number:
AG001TWI
Chemical Name:
4(1H)-Pyridinone, 1-(3-bromophenyl)-2-(hydroxymethyl)-5-[(phenylmethoxy)methoxy]-
CAS Number:
1632286-22-6
Molecular Formula:
C20H18BrNO4
Molecular Weight:
416.2652
IUPAC Name:
1-(3-bromophenyl)-2-(hydroxymethyl)-5-(phenylmethoxymethoxy)pyridin-4-one
InChI:
InChI=1S/C20H18BrNO4/c21-16-7-4-8-17(9-16)22-11-20(19(24)10-18(22)12-23)26-14-25-13-15-5-2-1-3-6-15/h1-11,23H,12-14H2
InChI Key:
SNWUQJFHQMEHHL-UHFFFAOYSA-N
SMILES:
OCc1cc(=O)c(cn1c1cccc(c1)Br)OCOCc1ccccc1
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.042g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.271g/mol
Monoisotopic Mass:
415.042g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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