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Home > Nitro Compounds > 478029-73-1
478029-73-1 | 5-methoxy-4-(3-nitrophenoxy)-2-phenylpyrimidine
CAS No: 478029-73-1 Catalog No: AG00IP4M MDL No:MFCD02186627
Product Description
Catalog Number:
AG00IP4M
Chemical Name:
5-methoxy-4-(3-nitrophenoxy)-2-phenylpyrimidine
CAS Number:
478029-73-1
Molecular Formula:
C17H13N3O4
Molecular Weight:
323.3028
MDL Number:
MFCD02186627
IUPAC Name:
5-methoxy-4-(3-nitrophenoxy)-2-phenylpyrimidine
InChI:
InChI=1S/C17H13N3O4/c1-23-15-11-18-16(12-6-3-2-4-7-12)19-17(15)24-14-9-5-8-13(10-14)20(21)22/h2-11H,1H3
InChI Key:
NWQLARYQKCVEID-UHFFFAOYSA-N
SMILES:
COc1cnc(nc1Oc1cccc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.308g/mol
Monoisotopic Mass:
323.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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