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22917-77-7 | 2,4(1H,3H)-Pyrimidinedione, 1-(3-bromopropyl)-
CAS No: 22917-77-7 Catalog No: AG002LI8 MDL No:
Product Description
Catalog Number:
AG002LI8
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(3-bromopropyl)-
CAS Number:
22917-77-7
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
IUPAC Name:
1-(3-bromopropyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C7H9BrN2O2/c8-3-1-4-10-5-2-6(11)9-7(10)12/h2,5H,1,3-4H2,(H,9,11,12)
InChI Key:
BBBZEPSNPDZFIZ-UHFFFAOYSA-N
SMILES:
BrCCCn1ccc(=O)[nH]c1=O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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