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886501-04-8 | (6,8-Dibromo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-ylsulfanyl)-acetic acid
CAS No: 886501-04-8 Catalog No: AG01EYEK MDL No:
Product Description
Catalog Number:
AG01EYEK
Chemical Name:
(6,8-Dibromo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-ylsulfanyl)-acetic acid
CAS Number:
886501-04-8
Molecular Formula:
C11H8Br2N2O3S
Molecular Weight:
408.0658
IUPAC Name:
2-(6,8-dibromo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
InChI:
InChI=1S/C11H8Br2N2O3S/c1-15-10(18)6-2-5(12)3-7(13)9(6)14-11(15)19-4-8(16)17/h2-3H,4H2,1H3,(H,16,17)
InChI Key:
NDQLDRGTCJCZLE-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nc2c(Br)cc(cc2c(=O)n1C)Br
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.86g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.064g/mol
Monoisotopic Mass:
405.862g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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