Name: Name:2-(2,2-difluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid
Brand: Angene
SKU: AG01A2S1
Rating: 90 (10 reviews)

2-(2,2-difluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid

CAS No.:

1423027-83-1

Catalog Number:

AG01A2S1

Molecular Formula:

C10H7F2NO4

Molecular Weight:

243.1637

Catalog Number:

AG01A2S1

Chemical Name:

2-(2,2-difluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid

CAS Number:

1423027-83-1

Molecular Formula:

C10H7F2NO4

Molecular Weight:

243.1637

MDL Number:

MFCD22628366

IUPAC Name:

2-(2,2-difluoro-3-oxo-1,4-benzoxazin-4-yl)acetic acid

InChI:

InChI=1S/C10H7F2NO4/c11-10(12)9(16)13(5-8(14)15)6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,14,15)

InChI Key:

CEFGMITYUMVYAJ-UHFFFAOYSA-N

SMILES:

OC(=O)CN1c2ccccc2OC(C1=O)(F)F

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.166g/mol

Monoisotopic Mass:

243.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4