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Home > Other Building Blocks > 88737-27-3
88737-27-3 | 2H-Benzofuro[3,2-e]-1,4-diazepin-2-one, 1,3-dihydro-5-methyl-, 4-oxide
CAS No: 88737-27-3 Catalog No: AG004E52 MDL No:
Product Description
Catalog Number:
AG004E52
Chemical Name:
2H-Benzofuro[3,2-e]-1,4-diazepin-2-one, 1,3-dihydro-5-methyl-, 4-oxide
CAS Number:
88737-27-3
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
4-hydroxy-5-methyl-3H-[1]benzofuro[3,2-e][1,4]diazepin-2-one
InChI:
InChI=1S/C12H10N2O3/c1-7-12-11(13-10(15)6-14(7)16)8-4-2-3-5-9(8)17-12/h2-5,16H,6H2,1H3
InChI Key:
CDYAFVKLCRHAHL-UHFFFAOYSA-N
SMILES:
O=C1C[N+](=C(c2c(N1)c1ccccc1o2)C)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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