Name: Name:7-chloro-1-(4-nitrophenyl)isochromane
Brand: Angene
SKU: AG01DX8B
Rating: 90 (10 reviews)

7-chloro-1-(4-nitrophenyl)isochromane

CAS No.:

220444-99-5

Catalog Number:

AG01DX8B

Molecular Formula:

C15H12ClNO3

Molecular Weight:

289.7137

Catalog Number:

AG01DX8B

Chemical Name:

7-chloro-1-(4-nitrophenyl)isochromane

CAS Number:

220444-99-5

Molecular Formula:

C15H12ClNO3

Molecular Weight:

289.7137

MDL Number:

MFCD30490701

IUPAC Name:

7-chloro-1-(4-nitrophenyl)-3,4-dihydro-1H-isochromene

InChI:

InChI=1S/C15H12ClNO3/c16-12-4-1-10-7-8-20-15(14(10)9-12)11-2-5-13(6-3-11)17(18)19/h1-6,9,15H,7-8H2

InChI Key:

SQIJUBRIDNBRQV-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)C(OCC2)c1ccc(cc1)[N+](=O)[O-]

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.715g/mol

Monoisotopic Mass:

289.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8