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Home > Nitro Compounds > 89249-66-1
89249-66-1 | Isoxazole, 3-(diphenylmethyl)-4,5-dihydro-5-(4-nitrophenoxy)-
CAS No: 89249-66-1 Catalog No: AG00425R MDL No:
Product Description
Catalog Number:
AG00425R
Chemical Name:
Isoxazole, 3-(diphenylmethyl)-4,5-dihydro-5-(4-nitrophenoxy)-
CAS Number:
89249-66-1
Molecular Formula:
C22H18N2O4
Molecular Weight:
374.3893
IUPAC Name:
3-benzhydryl-5-(4-nitrophenoxy)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C22H18N2O4/c25-24(26)18-11-13-19(14-12-18)27-21-15-20(23-28-21)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H,15H2
InChI Key:
KZGDPXPUGOEGHG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OC1ON=C(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.127g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.396g/mol
Monoisotopic Mass:
374.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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