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Home > Nitro Compounds > 1147979-37-0
1147979-37-0 | 5-methoxy-2-(3-nitrophenyl)pyrimidin-4-ol
CAS No: 1147979-37-0 Catalog No: AG00IWER MDL No:MFCD12025886
Product Description
Catalog Number:
AG00IWER
Chemical Name:
5-methoxy-2-(3-nitrophenyl)pyrimidin-4-ol
CAS Number:
1147979-37-0
Molecular Formula:
C11H9N3O4
Molecular Weight:
247.2069
MDL Number:
MFCD12025886
IUPAC Name:
5-methoxy-2-(3-nitrophenyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H9N3O4/c1-18-9-6-12-10(13-11(9)15)7-3-2-4-8(5-7)14(16)17/h2-6H,1H3,(H,12,13,15)
InChI Key:
KMUFSJBYIDLSDP-UHFFFAOYSA-N
SMILES:
COc1cnc(nc1O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.21g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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