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Home > Nitro Compounds > 339279-28-6
339279-28-6 | (E)-N,N-dimethyl-N'-{4-methyl-1-[(4-nitrophenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}methanimidamide
CAS No: 339279-28-6 Catalog No: AG00ITXD MDL No:MFCD01315941
Product Description
Catalog Number:
AG00ITXD
Chemical Name:
(E)-N,N-dimethyl-N'-{4-methyl-1-[(4-nitrophenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}methanimidamide
CAS Number:
339279-28-6
Molecular Formula:
C15H17N5O3
Molecular Weight:
315.3272
MDL Number:
MFCD01315941
IUPAC Name:
N,N-dimethyl-N'-[4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyrimidin-2-yl]methanimidamide
InChI:
InChI=1S/C15H17N5O3/c1-11-8-14(21)19(15(17-11)16-10-18(2)3)9-12-4-6-13(7-5-12)20(22)23/h4-8,10H,9H2,1-3H3
InChI Key:
UUGBTZPMWZCZAD-UHFFFAOYSA-N
SMILES:
CN(/C=N/c1nc(C)cc(=O)n1Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.333g/mol
Monoisotopic Mass:
315.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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