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2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

CAS: 499766-90-4

Formula: C6H4F3NO3

SMILES: CC1=NC(=C(O1)C(O)=O)C(F)(F)F

IUPAC: 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

InChI: InChI=1S/C6H4F3NO3/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)

Composition: C (36.94%), H (2.07%), F (29.21%), N (7.18%), O (24.60%)

Molar Mass: 195.097

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 195.014327482
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MUCHPEWZKWNIEW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.94
Topological Polar Surface Area 63.33
Polarizability 12.28
Ring Count 1
Rotatable Bond Count 2

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96% <2 Days 499766-90-4 $1,127.00-$6,762.00$1,127.00$1,817.00$6,762.00
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