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Home > Nitro Compounds > 821780-18-1
821780-18-1 | Pyrimidine, hexahydro-1-methyl-3-(4-nitrophenyl)- (9CI)
CAS No: 821780-18-1 Catalog No: AG00GLPX MDL No:
Product Description
Catalog Number:
AG00GLPX
Chemical Name:
Pyrimidine, hexahydro-1-methyl-3-(4-nitrophenyl)- (9CI)
CAS Number:
821780-18-1
IUPAC Name:
1-methyl-3-(4-nitrophenyl)-1,3-diazinane
InChI:
InChI=1S/C11H15N3O2/c1-12-7-2-8-13(9-12)10-3-5-11(6-4-10)14(15)16/h3-6H,2,7-9H2,1H3
InChI Key:
NHYBCGDNWOUMQS-UHFFFAOYSA-N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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