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1528991-21-0 | 1-(4-iodophenyl)dihydropyrimidine-2,4(1H,3H)-dione
CAS No: 1528991-21-0 Catalog No: AG01DVJS MDL No:MFCD23768108
Product Description
Catalog Number:
AG01DVJS
Chemical Name:
1-(4-iodophenyl)dihydropyrimidine-2,4(1H,3H)-dione
CAS Number:
1528991-21-0
Molecular Formula:
C10H9IN2O2
Molecular Weight:
316.0951
MDL Number:
MFCD23768108
IUPAC Name:
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C10H9IN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15)
InChI Key:
NMXLSPXXUCMDPZ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CCN1c1ccc(cc1)I
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.098g/mol
Monoisotopic Mass:
315.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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