Name: Name:2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo-
Brand: Angene
SKU: AG005VLU
Rating: 90 (10 reviews)

2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo-

CAS No.:

76693-35-1

Catalog Number:

AG005VLU

Molecular Formula:

C10H4BrNO2

Molecular Weight:

250.0483

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Product Description

Catalog Number:

AG005VLU

Chemical Name:

2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo-

CAS Number:

76693-35-1

Molecular Formula:

C10H4BrNO2

Molecular Weight:

250.0483

MDL Number:

MFCD00114266

IUPAC Name:

6-bromo-2-oxochromene-3-carbonitrile

InChI:

InChI=1S/C10H4BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H

InChI Key:

YZLPNNZWVUIODB-UHFFFAOYSA-N

SMILES:

Brc1cc2cc(C#N)c(=O)oc2cc1

Properties

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.943g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.051g/mol

Monoisotopic Mass:

248.943g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

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