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137935-43-4 | 4(3H)-Quinazolinone, 6,8-dibromo-2-methyl-3-(2-oxiranylmethoxy)-
CAS No: 137935-43-4 Catalog No: AG0017NY MDL No:
Product Description
Catalog Number:
AG0017NY
Chemical Name:
4(3H)-Quinazolinone, 6,8-dibromo-2-methyl-3-(2-oxiranylmethoxy)-
CAS Number:
137935-43-4
Molecular Formula:
C12H10Br2N2O3
Molecular Weight:
390.0274
IUPAC Name:
6,8-dibromo-2-methyl-3-(oxiran-2-ylmethoxy)quinazolin-4-one
InChI:
InChI=1S/C12H10Br2N2O3/c1-6-15-11-9(2-7(13)3-10(11)14)12(17)16(6)19-5-8-4-18-8/h2-3,8H,4-5H2,1H3
InChI Key:
FCQXGQCZLSFGRA-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(=O)n(c(n2)C)OCC1OC1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.904g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.031g/mol
Monoisotopic Mass:
387.906g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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