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354999-47-6 | Phenol, 2-[2-(2,3-dihydro-1,3,3-trimethyl-1H-indol-2-yl)ethenyl]-4-nitro-
CAS No: 354999-47-6 Catalog No: AG007AVO MDL No:
Product Description
Catalog Number:
AG007AVO
Chemical Name:
Phenol, 2-[2-(2,3-dihydro-1,3,3-trimethyl-1H-indol-2-yl)ethenyl]-4-nitro-
CAS Number:
354999-47-6
Molecular Formula:
C19H20N2O3
Molecular Weight:
324.3737
IUPAC Name:
4-nitro-2-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenol
InChI:
InChI=1S/C19H20N2O3/c1-19(2)15-6-4-5-7-16(15)20(3)18(19)11-8-13-12-14(21(23)24)9-10-17(13)22/h4-12,18,22H,1-3H3
InChI Key:
BMNXHHQOSYBSNW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C=CC1N(C)c2c(C1(C)C)cccc2)[N+](=O)[O-]
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.38g/mol
Monoisotopic Mass:
324.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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