CAS 3848-36-0 | 4-Chlorobenzenecarbaldehyde oxime | CAS Number 3848-36-0

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3848-36-0 | 4-Chlorobenzenecarbaldehyde oxime

CAS No: 3848-36-0 Catalog No: AG003L6F MDL No:MFCD00016412

Product Description

Catalog Number:

AG003L6F

Chemical Name:

4-Chlorobenzenecarbaldehyde oxime

CAS Number:

3848-36-0

Molecular Formula:

C7H6ClNO

Molecular Weight:

155.5816

MDL Number:

MFCD00016412

IUPAC Name:

(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine

InChI:

InChI=1S/C7H6ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+

InChI Key:

QKWBTCRVPQHOMT-WEVVVXLNSA-N

SMILES:

O/N=C/c1ccc(cc1)Cl

Properties

Complexity:

119

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

155.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

155.581g/mol

Monoisotopic Mass:

155.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
N-Aryl N'-hydroxyguanidines, a new class of NO-donors after selective oxidation by nitric oxide synthases: structure-activity relationship.	Journal of medicinal chemistry 20020214