Name: Name:3-Oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-6-carbonitrile
Brand: Angene
SKU: AG006ZKC
Rating: 90 (10 reviews)

3-Oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-6-carbonitrile

CAS No.:

134997-74-3

Catalog Number:

AG006ZKC

Molecular Formula:

C9H6N2O2

Molecular Weight:

174.1561

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Price(USD)

Quantity

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United States

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Catalog Number:

AG006ZKC

Chemical Name:

3-Oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-6-carbonitrile

CAS Number:

134997-74-3

Molecular Formula:

C9H6N2O2

Molecular Weight:

174.1561

MDL Number:

MFCD20039908

IUPAC Name:

3-oxo-4H-1,4-benzoxazine-6-carbonitrile

InChI:

InChI=1S/C9H6N2O2/c10-4-6-1-2-8-7(3-6)11-9(12)5-13-8/h1-3H,5H2,(H,11,12)

InChI Key:

WCBILQWUWLALFZ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)NC(=O)CO2

Complexity:

268

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.159g/mol

Monoisotopic Mass:

174.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6