Name: Name:2H-1,4-Benzoxazine-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-oxo-
Brand: Angene
SKU: AG00I3XZ
Rating: 90 (10 reviews)

2H-1,4-Benzoxazine-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-oxo-

CAS No.:

205818-52-6

Catalog Number:

AG00I3XZ

Molecular Formula:

C11H10N2O2

Molecular Weight:

202.2093

Catalog Number:

AG00I3XZ

Chemical Name:

2H-1,4-Benzoxazine-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-oxo-

CAS Number:

205818-52-6

Molecular Formula:

C11H10N2O2

Molecular Weight:

202.2093

MDL Number:

MFCD20039828

IUPAC Name:

2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonitrile

InChI:

InChI=1S/C11H10N2O2/c1-11(2)10(14)13-8-5-7(6-12)3-4-9(8)15-11/h3-5H,1-2H3,(H,13,14)

InChI Key:

KEFFHGHKFDZMSO-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)NC(=O)C(O2)(C)C

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

202.213g/mol

Monoisotopic Mass:

202.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2