CAS 101-79-1 | Benzenamine, 4-(4-chlorophenoxy)- | CAS Number 101-79-1

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101-79-1 | Benzenamine, 4-(4-chlorophenoxy)-

CAS No: 101-79-1 Catalog No: AG0003FW MDL No:MFCD00043925

Product Description

Catalog Number:

AG0003FW

Chemical Name:

Benzenamine, 4-(4-chlorophenoxy)-

CAS Number:

101-79-1

Molecular Formula:

C12H10ClNO

Molecular Weight:

219.6669

MDL Number:

MFCD00043925

IUPAC Name:

4-(4-chlorophenoxy)aniline

InChI:

InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2

InChI Key:

YTISFYMPVILQRL-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)Oc1ccc(cc1)Cl

EC Number:

202-976-5

NSC Number:

75571

Properties

Complexity:

184

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.668g/mol

Monoisotopic Mass:

219.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Inhibition of monoamine oxidase by selected C5- and C6-substituted isatin analogues.	Bioorganic & medicinal chemistry 20110101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501