Name: Name:1,4-Benzodioxin-2-carbonitrile, 2,3-dihydro-
Brand: Angene
SKU: AG0002X7
Rating: 90 (10 reviews)

1,4-Benzodioxin-2-carbonitrile, 2,3-dihydro-

CAS No.:

1008-92-0

Catalog Number:

AG0002X7

Molecular Formula:

C9H7NO2

Molecular Weight:

161.1574

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Product Description

Catalog Number:

AG0002X7

Chemical Name:

1,4-Benzodioxin-2-carbonitrile, 2,3-dihydro-

CAS Number:

1008-92-0

Molecular Formula:

C9H7NO2

Molecular Weight:

161.1574

MDL Number:

MFCD00068066

IUPAC Name:

2,3-dihydro-1,4-benzodioxine-3-carbonitrile

InChI:

InChI=1S/C9H7NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,6H2

InChI Key:

DNLJHDDOVWQQEW-UHFFFAOYSA-N

SMILES:

N#CC1COc2c(O1)cccc2

EC Number:

600-140-8

Properties

Complexity:

208

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

161.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

161.16g/mol

Monoisotopic Mass:

161.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

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

Properties