4-(2,2,2-trifluoroacetohydrazido)benzoic acid

4-(2,2,2-trifluoroacetohydrazido)benzoic acid

CAS: 226412-59-5

Formula: C9H7F3N2O3

SMILES: OC(=O)C1=CC=C(NNC(=O)C(F)(F)F)C=C1

IUPAC: 4-(2,2,2-trifluoroacetohydrazido)benzoic acid

InChI: InChI=1S/C9H7F3N2O3/c10-9(11,12)8(17)14-13-6-3-1-5(2-4-6)7(15)16/h1-4,13H,(H,14,17)(H,15,16)

Composition: C (43.56%), H (2.84%), F (22.97%), N (11.29%), O (19.34%)

Molar Mass: 248.161

Atom Count: 24

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.040876582
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	PKQXKODPYNMWBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.41
Topological Polar Surface Area	78.43
Polarizability	18.4
Ring Count	1
Rotatable Bond Count	4

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95%	<2 Days	226412-59-5		$202.14$202.14