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1282516-62-4 | IMidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, 5,6-dihydro-2-iodo-, Methyl ester
CAS No: 1282516-62-4 Catalog No: AG000XWE MDL No:MFCD22581523
Product Description
Catalog Number:
AG000XWE
Chemical Name:
IMidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, 5,6-dihydro-2-iodo-, Methyl ester
CAS Number:
1282516-62-4
Molecular Formula:
C13H11IN2O3
Molecular Weight:
370.1425
MDL Number:
MFCD22581523
IUPAC Name:
methyl 2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-9-carboxylate
InChI:
InChI=1S/C13H11IN2O3/c1-18-13(17)8-2-3-9-10(6-8)19-5-4-16-7-11(14)15-12(9)16/h2-3,6-7H,4-5H2,1H3
InChI Key:
WRDQDJADTMEKKX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)OCCn1c2nc(c1)I
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.981g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.146g/mol
Monoisotopic Mass:
369.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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