Name: Name:8-(trifluoromethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carboxylic acid
Brand: Angene
SKU: AG005FJU
Rating: 90 (10 reviews)

8-(trifluoromethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carboxylic acid

CAS No.:

73221-19-9

Catalog Number:

AG005FJU

Molecular Formula:

C9H5F3N2O2

Molecular Weight:

230.1434

Catalog Number:

AG005FJU

Chemical Name:

8-(trifluoromethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carboxylic acid

CAS Number:

73221-19-9

Molecular Formula:

C9H5F3N2O2

Molecular Weight:

230.1434

MDL Number:

MFCD06496239

IUPAC Name:

2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

InChI:

InChI=1S/C9H5F3N2O2/c10-9(11,12)7-6(8(15)16)14-4-2-1-3-5(14)13-7/h1-4H,(H,15,16)

InChI Key:

WJFKWYWCMPJWQD-UHFFFAOYSA-N

SMILES:

OC(=O)c1n2ccccc2nc1C(F)(F)F

NSC Number:

378703

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.146g/mol

Monoisotopic Mass:

230.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5