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Home > Nitro Compounds > 477846-99-4
477846-99-4 | 4-(4-methylphenyl)-2-{4-[(4-nitrophenyl)methoxy]phenyl}pyrimidine
CAS No: 477846-99-4 Catalog No: AG00IN49 MDL No:MFCD02186943
Product Description
Catalog Number:
AG00IN49
Chemical Name:
4-(4-methylphenyl)-2-{4-[(4-nitrophenyl)methoxy]phenyl}pyrimidine
CAS Number:
477846-99-4
Molecular Formula:
C24H19N3O3
Molecular Weight:
397.4260
MDL Number:
MFCD02186943
IUPAC Name:
4-(4-methylphenyl)-2-[4-[(4-nitrophenyl)methoxy]phenyl]pyrimidine
InChI:
InChI=1S/C24H19N3O3/c1-17-2-6-19(7-3-17)23-14-15-25-24(26-23)20-8-12-22(13-9-20)30-16-18-4-10-21(11-5-18)27(28)29/h2-15H,16H2,1H3
InChI Key:
YBMQSKWBRRCQAP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccnc(n1)c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.143g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.434g/mol
Monoisotopic Mass:
397.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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