Name: Name:8-chloro-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
Brand: Angene
SKU: AG00IDLH
Rating: 90 (10 reviews)

8-chloro-2,3-dihydro-1,4-benzodioxine-6-carbonitrile

CAS No.:

852389-10-7

Catalog Number:

AG00IDLH

Molecular Formula:

C9H6ClNO2

Molecular Weight:

195.6024

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Product Description

Catalog Number:

AG00IDLH

Chemical Name:

8-chloro-2,3-dihydro-1,4-benzodioxine-6-carbonitrile

CAS Number:

852389-10-7

Molecular Formula:

C9H6ClNO2

Molecular Weight:

195.6024

MDL Number:

MFCD06655478

IUPAC Name:

5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonitrile

InChI:

InChI=1S/C9H6ClNO2/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4H,1-2H2

InChI Key:

CEFHZQNIGUDOMB-UHFFFAOYSA-N

SMILES:

N#Cc1cc2OCCOc2c(c1)Cl

Properties

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.602g/mol

Monoisotopic Mass:

195.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101