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73221-19-9 | 8-(trifluoromethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carboxylic acid
CAS No: 73221-19-9 Catalog No: AG005FJU MDL No:MFCD06496239
Product Description
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
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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