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88351-89-7 | 2,4(1H,3H)-Pyrimidinedione, 6-[[(4-bromophenyl)methylene]amino]-
CAS No: 88351-89-7 Catalog No: AG0045AX MDL No:
Product Description
Catalog Number:
AG0045AX
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[[(4-bromophenyl)methylene]amino]-
CAS Number:
88351-89-7
Molecular Formula:
C11H8BrN3O2
Molecular Weight:
294.1041
IUPAC Name:
6-[(4-bromophenyl)methylideneamino]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H8BrN3O2/c12-8-3-1-7(2-4-8)6-13-9-5-10(16)15-11(17)14-9/h1-6H,(H2,14,15,16,17)
InChI Key:
UJQVPHNIOHZNJP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C=Nc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.108g/mol
Monoisotopic Mass:
292.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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