Name: Name:4-[1-(1H-indol-3-yl)-2-nitroethyl]-2-methoxyphenol
Brand: Angene
SKU: AG019JC3
Rating: 90 (10 reviews)

4-[1-(1H-indol-3-yl)-2-nitroethyl]-2-methoxyphenol

CAS No.:

743452-11-1

Catalog Number:

AG019JC3

Molecular Formula:

C17H16N2O4

Molecular Weight:

312.3199

Catalog Number:

AG019JC3

Chemical Name:

4-[1-(1H-indol-3-yl)-2-nitroethyl]-2-methoxyphenol

CAS Number:

743452-11-1

Molecular Formula:

C17H16N2O4

Molecular Weight:

312.3199

MDL Number:

MFCD05263733

IUPAC Name:

4-[1-(1H-indol-3-yl)-2-nitroethyl]-2-methoxyphenol

InChI:

InChI=1S/C17H16N2O4/c1-23-17-8-11(6-7-16(17)20)14(10-19(21)22)13-9-18-15-5-3-2-4-12(13)15/h2-9,14,18,20H,10H2,1H3

InChI Key:

NLUWKKNOXIRINM-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1O)C(c1c[nH]c2c1cccc2)C[N+](=O)[O-]

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.325g/mol

Monoisotopic Mass:

312.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2