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1203499-36-8 | 8-Iodo-1-(4-methoxybenzyl)-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
CAS No: 1203499-36-8 Catalog No: AG00HFEF MDL No:MFCD13176669
Product Description
Catalog Number:
AG00HFEF
Chemical Name:
8-Iodo-1-(4-methoxybenzyl)-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
CAS Number:
1203499-36-8
Molecular Formula:
C15H13IN2O3
Molecular Weight:
396.1798
MDL Number:
MFCD13176669
IUPAC Name:
8-iodo-1-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,4]oxazin-2-one
InChI:
InChI=1S/C15H13IN2O3/c1-20-11-4-2-10(3-5-11)8-18-13(19)9-21-15-14(18)12(16)6-7-17-15/h2-7H,8-9H2,1H3
InChI Key:
HHASLJWLUTWBFA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1C(=O)COc2c1c(I)ccn2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.997g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.184g/mol
Monoisotopic Mass:
395.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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