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7027-79-4 | 2,4(1H,3H)-Pyrimidinedione, 5-bromo-3-(2-propynyl)-
CAS No: 7027-79-4 Catalog No: AG005KDM MDL No:
Product Description
Catalog Number:
AG005KDM
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromo-3-(2-propynyl)-
CAS Number:
7027-79-4
Molecular Formula:
C7H5BrN2O2
Molecular Weight:
229.0308
IUPAC Name:
5-bromo-3-prop-2-ynyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H5BrN2O2/c1-2-3-10-6(11)5(8)4-9-7(10)12/h1,4H,3H2,(H,9,12)
InChI Key:
DIOIQIGYPUHISA-UHFFFAOYSA-N
SMILES:
C#CCn1c(=O)[nH]cc(c1=O)Br
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.033g/mol
Monoisotopic Mass:
227.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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