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Home > Nitro Compounds > 89839-93-0
89839-93-0 | 2H-1-Benzopyran, 3,4-dihydro-4-(3-nitrophenoxy)-2-phenyl-, cis-
CAS No: 89839-93-0 Catalog No: AG003XLP MDL No:
Product Description
Catalog Number:
AG003XLP
Chemical Name:
2H-1-Benzopyran, 3,4-dihydro-4-(3-nitrophenoxy)-2-phenyl-, cis-
CAS Number:
89839-93-0
Molecular Formula:
C21H17NO4
Molecular Weight:
347.3640
IUPAC Name:
4-(3-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C21H17NO4/c23-22(24)16-9-6-10-17(13-16)25-21-14-20(15-7-2-1-3-8-15)26-19-12-5-4-11-18(19)21/h1-13,20-21H,14H2
InChI Key:
LEJUFSVIOFWDIH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)O[C@@H]1C[C@@H](Oc2c1cccc2)c1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.37g/mol
Monoisotopic Mass:
347.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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