CAS 1145-76-2 | Benzene, 1-nitro-4-(phenylmethoxy)- | CAS Number 1145-76-2

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1145-76-2 | Benzene, 1-nitro-4-(phenylmethoxy)-

CAS No: 1145-76-2 Catalog No: AG000EKU MDL No:MFCD00024672

Product Description

Catalog Number:

AG000EKU

Chemical Name:

Benzene, 1-nitro-4-(phenylmethoxy)-

CAS Number:

1145-76-2

Molecular Formula:

C13H11NO3

Molecular Weight:

229.2313

MDL Number:

MFCD00024672

IUPAC Name:

1-nitro-4-phenylmethoxybenzene

InChI:

InChI=1S/C13H11NO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2

InChI Key:

YOVUXLHIVNBVKO-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)OCc1ccccc1

EC Number:

214-545-9

NSC Number:

24667

Properties

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.235g/mol

Monoisotopic Mass:

229.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Anti human immunodeficiency virus-1 (HIV-1) agents 1. Discovery of benzyl phenyl ethers as new HIV-1 inhibitors in vitro.	Chemical & pharmaceutical bulletin 20090101
Kinetics of the reactions of [p-nitrophenoxy(phenyl)carbene]pentacarbonylchromium(0) with aryloxide ions, hydroxide ion, and water in aqueous acetonitrile. Concerted or stepwise?	The Journal of organic chemistry 20070216