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72255-53-9 | 2,4(1H,3H)-Pyrimidinedione, 6-[[3-(chloromethyl)phenyl]amino]-
CAS No: 72255-53-9 Catalog No: AG005J2Z MDL No:
Product Description
Catalog Number:
AG005J2Z
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[[3-(chloromethyl)phenyl]amino]-
CAS Number:
72255-53-9
Molecular Formula:
C11H10ClN3O2
Molecular Weight:
251.6690
IUPAC Name:
6-[3-(chloromethyl)anilino]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H10ClN3O2/c12-6-7-2-1-3-8(4-7)13-9-5-10(16)15-11(17)14-9/h1-5H,6H2,(H3,13,14,15,16,17)
InChI Key:
BSCDQRQTUBAGAT-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)Nc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.67g/mol
Monoisotopic Mass:
251.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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